 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/Gau-15304.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15306.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 18:45:05 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.04D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 18:45:08 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  1.00D-06 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               8.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 18:45:12 2021, MaxMem=  6442450944 cpu:               8.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.811406508614    
 DIIS: error= 3.75D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.811406508614     IErMin= 1 ErrMin= 3.75D-05
 ErrMax= 3.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-06 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.32D-04 MaxDP=4.05D-02              OVMax= 3.87D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.46D-04    CP:  9.97D-01
 E= -654.811411812863     Delta-E=       -0.000005304249 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.811411812863     IErMin= 2 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-07 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.885D-01 0.109D+01
 Coeff:     -0.885D-01 0.109D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.22D-05 MaxDP=2.13D-03 DE=-5.30D-06 OVMax= 1.25D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  9.97D-01  1.08D+00
 E= -654.811412012145     Delta-E=       -0.000000199282 Rises=F Damp=F
 DIIS: error= 9.69D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.811412012145     IErMin= 3 ErrMin= 9.69D-06
 ErrMax= 9.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-07 BMatP= 1.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.735D-01 0.550D+00 0.524D+00
 Coeff:     -0.735D-01 0.550D+00 0.524D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.61D-06 MaxDP=2.20D-04 DE=-1.99D-07 OVMax= 6.51D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.98D-06    CP:  9.97D-01  1.09D+00  9.23D-01
 E= -654.811412109625     Delta-E=       -0.000000097479 Rises=F Damp=F
 DIIS: error= 3.06D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.811412109625     IErMin= 4 ErrMin= 3.06D-06
 ErrMax= 3.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-08 BMatP= 1.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.256D-01 0.113D+00 0.240D+00 0.673D+00
 Coeff:     -0.256D-01 0.113D+00 0.240D+00 0.673D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.29D-06 MaxDP=7.22D-05 DE=-9.75D-08 OVMax= 3.18D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  9.97D-01  1.09D+00  9.50D-01  1.10D+00
 E= -654.811412117442     Delta-E=       -0.000000007817 Rises=F Damp=F
 DIIS: error= 1.17D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.811412117442     IErMin= 5 ErrMin= 1.17D-06
 ErrMax= 1.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-09 BMatP= 1.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-02-0.315D-01 0.445D-01 0.369D+00 0.620D+00
 Coeff:     -0.196D-02-0.315D-01 0.445D-01 0.369D+00 0.620D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=6.90D-07 MaxDP=5.14D-05 DE=-7.82D-09 OVMax= 1.53D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.46D-07    CP:  9.97D-01  1.08D+00  9.71D-01  1.11D+00  1.08D+00
 E= -654.811412119249     Delta-E=       -0.000000001807 Rises=F Damp=F
 DIIS: error= 3.20D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.811412119249     IErMin= 6 ErrMin= 3.20D-07
 ErrMax= 3.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-10 BMatP= 2.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.241D-01-0.311D-02 0.102D+00 0.268D+00 0.656D+00
 Coeff:      0.172D-02-0.241D-01-0.311D-02 0.102D+00 0.268D+00 0.656D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.79D-07 MaxDP=1.11D-05 DE=-1.81D-09 OVMax= 3.95D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  9.97D-01  1.08D+00  9.76D-01  1.11D+00  1.09D+00
                    CP:  1.12D+00
 E= -654.811412119345     Delta-E=       -0.000000000096 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.811412119345     IErMin= 7 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-11 BMatP= 1.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.939D-03-0.408D-02-0.918D-02-0.202D-01-0.577D-02 0.276D+00
 Coeff-Com:  0.762D+00
 Coeff:      0.939D-03-0.408D-02-0.918D-02-0.202D-01-0.577D-02 0.276D+00
 Coeff:      0.762D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=9.71D-08 MaxDP=4.40D-06 DE=-9.62D-11 OVMax= 1.93D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.32D-08    CP:  9.97D-01  1.08D+00  9.75D-01  1.12D+00  1.10D+00
                    CP:  1.12D+00  1.28D+00
 E= -654.811412119440     Delta-E=       -0.000000000095 Rises=F Damp=F
 DIIS: error= 2.34D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -654.811412119440     IErMin= 8 ErrMin= 2.34D-08
 ErrMax= 2.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-12 BMatP= 2.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.700D-04 0.154D-02-0.240D-02-0.156D-01-0.330D-01 0.951D-02
 Coeff-Com:  0.199D+00 0.841D+00
 Coeff:      0.700D-04 0.154D-02-0.240D-02-0.156D-01-0.330D-01 0.951D-02
 Coeff:      0.199D+00 0.841D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.24D-08 MaxDP=2.28D-06 DE=-9.48D-11 OVMax= 7.05D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.27D-08    CP:  9.97D-01  1.08D+00  9.75D-01  1.12D+00  1.09D+00
                    CP:  1.15D+00  1.31D+00  1.07D+00
 E= -654.811412119372     Delta-E=        0.000000000068 Rises=F Damp=F
 DIIS: error= 1.01D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -654.811412119440     IErMin= 9 ErrMin= 1.01D-08
 ErrMax= 1.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-13 BMatP= 1.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.497D-04 0.103D-02-0.291D-03-0.489D-02-0.141D-01-0.197D-01
 Coeff-Com:  0.158D-01 0.375D+00 0.647D+00
 Coeff:     -0.497D-04 0.103D-02-0.291D-03-0.489D-02-0.141D-01-0.197D-01
 Coeff:      0.158D-01 0.375D+00 0.647D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=1.03D-06 DE= 6.84D-11 OVMax= 2.19D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  9.97D-01  1.08D+00  9.75D-01  1.12D+00  1.10D+00
                    CP:  1.15D+00  1.31D+00  1.11D+00  9.30D-01
 E= -654.811412119372     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 3.84D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -654.811412119440     IErMin=10 ErrMin= 3.84D-09
 ErrMax= 3.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-14 BMatP= 2.76D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.289D-04 0.134D-03 0.222D-03 0.625D-03-0.112D-03-0.817D-02
 Coeff-Com: -0.253D-01 0.502D-02 0.220D+00 0.808D+00
 Coeff:     -0.289D-04 0.134D-03 0.222D-03 0.625D-03-0.112D-03-0.817D-02
 Coeff:     -0.253D-01 0.502D-02 0.220D+00 0.808D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.56D-09 MaxDP=1.94D-07 DE=-4.55D-13 OVMax= 1.21D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.811412119     A.U. after   10 cycles
            NFock= 10  Conv=0.46D-08     -V/T= 2.0048
 KE= 6.517135337789D+02 PE=-3.466945039959D+03 EE= 1.189877991488D+03
 Leave Link  502 at Mon Sep 27 18:57:38 2021, MaxMem=  6442450944 cpu:            5960.6 elap:             746.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10565601D+03

 Leave Link  801 at Mon Sep 27 18:57:39 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.73D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.36D-01 6.62D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 6.42D-02 6.41D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 7.91D-03 1.62D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 1.20D-03 4.48D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 2.15D-04 1.57D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.78D-05 4.42D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 9.57D-07 1.50D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 3.14D-08 2.83D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.11D-09 5.13D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 3.67D-11 7.18D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.13D-12 1.24D-07.
      4 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 5.30D-14 2.01D-08.
      1 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 4.04D-14 1.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.228329D+03
      2  0.885357D+01  0.142451D+03
      3 -0.412191D+01  0.676502D+01  0.154887D+03
 Isotropic polarizability for W=    0.088559      175.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.274135D+03 -0.775342D+02 -0.499167D+02
      2   0.148058D+03  0.707081D+02  0.189640D+01
      3   0.126077D+03  0.682606D+01  0.480204D+02
      4  -0.101860D+02 -0.103224D+03 -0.298222D+02
      5  -0.451146D+02 -0.277997D+02 -0.797707D+02
      6  -0.683312D+01 -0.228654D+02  0.198338D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.699483D+01 -0.218782D+01 -0.638312D+01
      2  -0.415473D+02 -0.169396D+02 -0.382038D+02
      3   0.292358D+02  0.566960D+02  0.945992D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.202250D+01 -0.247618D+02 -0.130078D+02
      2  -0.480212D+01 -0.229890D+02 -0.205847D+03
      3   0.673482D+02  0.251282D+03  0.209665D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.323424D+01  0.723829D+01  0.107940D+01
      2   0.723829D+01  0.248011D+01  0.105629D+01
      3   0.107940D+01  0.105629D+01  0.269229D+00
 OR G Eigenvalues:    -8.1696    -0.0153     7.6999  Iso=     0.1616
 Eigenvectors:
   (1)   0.828172  -0.559322  -0.035920
   (2)  -0.080320  -0.181866   0.980037
   (3)   0.554689   0.808754   0.195541
 w=    0.088559 a.u., Optical Rotation Beta=      0.1616 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       39.73 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.14D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.36D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 2.71D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.25D-02 2.72D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.83D-03 5.24D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 9.20D-05 1.22D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.82D-06 1.88D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.95D-08 1.94D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 8.68D-10 1.97D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 1.02D-11 2.33D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.18D-13 3.12D-08.
     13 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 2.93D-14 1.68D-08.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 1.30D-14 5.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   285 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.77D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.77D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.35D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228329D+03  0.885357D+01 -0.412191D+01
      2   0.885357D+01  0.142451D+03  0.676502D+01
      3  -0.412191D+01  0.676502D+01  0.154887D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.699483D+01 -0.218782D+01 -0.638312D+01
      2  -0.415473D+02 -0.169396D+02 -0.382038D+02
      3   0.292358D+02  0.566960D+02  0.945992D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.274135D+03 -0.775342D+02 -0.499167D+02
      2   0.148058D+03  0.707081D+02  0.189640D+01
      3   0.126077D+03  0.682606D+01  0.480204D+02
      4  -0.101860D+02 -0.103224D+03 -0.298222D+02
      5  -0.451146D+02 -0.277997D+02 -0.797707D+02
      6  -0.683312D+01 -0.228654D+02  0.198338D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.930136D+01  0.217159D+01 -0.701557D+00 -0.292775D+00 -0.854866D-01
      2   0.217159D+01 -0.437868D-01  0.406254D+00 -0.854866D-01 -0.359119D+01
      3  -0.701557D+00  0.406254D+00 -0.182443D+01  0.158340D+01 -0.153381D+01
                 6             7             8             9            10 
      1   0.158340D+01 -0.119838D+02 -0.100435D+01  0.296900D+00 -0.316021D+02
      2  -0.153381D+01 -0.100435D+01  0.157037D-01  0.124935D+01 -0.336466D+01
      3   0.102126D+01  0.296900D+00  0.124935D+01 -0.162014D+01 -0.325318D+00
                11            12            13            14            15 
      1  -0.336466D+01 -0.325318D+00 -0.720620D+01 -0.507001D+01  0.126067D+01
      2  -0.182082D+01 -0.757433D+00 -0.507001D+01 -0.291132D+01  0.342473D+00
      3  -0.757433D+00 -0.280576D+01  0.126067D+01  0.342473D+00 -0.838963D+00
                16            17            18            19            20 
      1  -0.113761D+01  0.155386D+01 -0.130575D+01 -0.772661D+01 -0.247334D+01
      2   0.155386D+01  0.616184D+00 -0.129908D+00 -0.247334D+01  0.195025D+01
      3  -0.130575D+01 -0.129908D+00  0.157974D+01  0.187320D+00  0.134354D+01
                21            22            23            24            25 
      1   0.187320D+00 -0.798055D+01  0.122880D-01  0.607233D+00 -0.111412D+02
      2   0.134354D+01  0.122880D-01 -0.144966D+01 -0.171178D+01 -0.261518D+01
      3   0.130535D+01  0.607233D+00 -0.171178D+01  0.194590D+01  0.221569D+00
                26            27            28            29            30 
      1  -0.261518D+01  0.221569D+00  0.283233D+02  0.451539D+01 -0.140458D+01
      2  -0.115040D+01  0.114775D+01  0.451539D+01  0.233520D+01  0.190797D+00
      3   0.114775D+01 -0.225761D+01 -0.140458D+01  0.190797D+00  0.250272D+01
                31            32            33            34            35 
      1   0.409060D+01  0.572890D+01 -0.148139D+01 -0.781657D+00 -0.114120D+01
      2   0.572890D+01  0.216675D+01 -0.623600D+00 -0.114120D+01 -0.164384D+01
      3  -0.148139D+01 -0.623600D+00  0.160813D+01  0.109705D+01  0.390516D+00
                36            37            38            39            40 
      1   0.109705D+01 -0.115848D+02 -0.272190D+01  0.111436D+01 -0.674237D+00
      2   0.390516D+00 -0.272190D+01 -0.733408D-01 -0.450502D+00  0.760672D+00
      3   0.810593D+00  0.111436D+01 -0.450502D+00  0.338463D+01 -0.172787D+01
                41            42            43            44            45 
      1   0.760672D+00 -0.172787D+01  0.135473D+02  0.759899D+00 -0.145432D+01
      2   0.382551D+01  0.187287D+01  0.759899D+00  0.623262D+00 -0.140837D+01
      3   0.187287D+01 -0.103732D+01 -0.145432D+01 -0.140837D+01  0.126350D+01
                46            47            48            49            50 
      1   0.990280D+01  0.242172D+01 -0.588919D+00  0.104925D+02 -0.662358D+00
      2   0.242172D+01 -0.175535D+01 -0.137210D+01 -0.662358D+00  0.114574D+01
      3  -0.588919D+00 -0.137210D+01 -0.214300D+01 -0.275276D+00  0.212447D+01
                51            52            53            54            55 
      1  -0.275276D+00  0.106079D+02  0.237653D+01  0.116641D+01  0.182289D+02
      2   0.212447D+01  0.237653D+01  0.126765D+01 -0.121158D+01 -0.109458D+00
      3  -0.310601D+01  0.116641D+01 -0.121158D+01  0.149377D+01  0.975154D+00
                56            57            58            59            60 
      1  -0.109458D+00  0.975154D+00 -0.366707D+01  0.428471D+01 -0.108852D+01
      2   0.145991D+01 -0.522735D+00  0.428471D+01  0.592446D+01  0.164757D+01
      3  -0.522735D+00  0.205675D+01 -0.108852D+01  0.164757D+01  0.232611D+00
                61            62            63            64            65 
      1   0.756159D+01 -0.656024D+00  0.389973D+01 -0.457714D+01  0.392321D+01
      2  -0.656024D+00  0.264013D+01  0.115535D+01  0.392321D+01 -0.878917D+00
      3   0.389973D+01  0.115535D+01 -0.482992D+01  0.336560D+00  0.121261D+01
                66            67            68            69            70 
      1   0.336560D+00  0.123029D+02 -0.181916D+01  0.215202D+01 -0.578429D+01
      2   0.121261D+01 -0.181916D+01 -0.435726D+01 -0.165460D+01  0.100752D+01
      3  -0.327589D+01  0.215202D+01 -0.165460D+01  0.339515D+00 -0.506416D+01
                71            72            73            74            75 
      1   0.100752D+01 -0.506416D+01 -0.322636D+01 -0.470206D+01  0.681120D+00
      2  -0.238774D+01  0.491106D-01 -0.470206D+01  0.985416D+00 -0.134623D+01
      3   0.491106D-01  0.637833D+01  0.681120D+00 -0.134623D+01  0.298816D+01
                76            77            78            79            80 
      1  -0.620482D+01  0.129311D+01 -0.173549D+01  0.161702D+01 -0.157791D+01
      2   0.129311D+01  0.150250D+01  0.237505D+01 -0.157791D+01  0.327799D+01
      3  -0.173549D+01  0.237505D+01 -0.116258D+01  0.410111D+01 -0.181004D+01
                81            82            83            84            85 
      1   0.410111D+01 -0.171125D+01 -0.379744D+01 -0.394303D-01 -0.619181D+01
      2  -0.181004D+01 -0.379744D+01  0.801709D+00 -0.171567D+01  0.231414D+01
      3  -0.449495D+01 -0.394303D-01 -0.171567D+01  0.357542D+01 -0.216944D+01
                86            87            88            89            90 
      1   0.231414D+01 -0.216944D+01  0.116165D+01 -0.182047D+01  0.526252D+01
      2   0.503226D+01  0.341910D+01 -0.182047D+01  0.337029D+01  0.322310D+00
      3   0.341910D+01 -0.226739D+00  0.526252D+01  0.322310D+00 -0.326812D+01
                91            92            93            94            95 
      1  -0.560201D+01  0.368897D-01 -0.553200D+00  0.386129D+01 -0.575507D+01
      2   0.368897D-01 -0.228322D+01  0.480284D+00 -0.575507D+01 -0.343862D+00
      3  -0.553200D+00  0.480284D+00 -0.123870D+01  0.105760D+01  0.983508D+00
                96            97            98            99           100 
      1   0.105760D+01  0.220966D+01  0.178126D+01 -0.210985D+01 -0.224390D+01
      2   0.983508D+00  0.178126D+01  0.261849D+01 -0.310037D+01 -0.737469D-01
      3  -0.255153D+01 -0.210985D+01 -0.310037D+01 -0.321514D+01  0.174349D+01
               101           102           103           104           105 
      1  -0.737469D-01  0.174349D+01 -0.927356D+00  0.219540D+01 -0.270373D+00
      2   0.145502D+01  0.381837D-01  0.219540D+01 -0.243252D+01 -0.431135D+00
      3   0.381837D-01 -0.122143D+01 -0.270373D+00 -0.431135D+00  0.221927D+01
               106           107           108           109           110 
      1   0.458579D+01 -0.256502D+01 -0.252705D+01  0.484038D+01 -0.120888D+01
      2  -0.256502D+01  0.159381D+01  0.247824D+01 -0.120888D+01  0.532993D+00
      3  -0.252705D+01  0.247824D+01  0.310390D+01 -0.376819D+01  0.196003D+00
               111           112           113           114           115 
      1  -0.376819D+01 -0.273112D+01  0.151881D+01  0.785625D+00 -0.957134D+01
      2   0.196003D+00  0.151881D+01 -0.148824D+01 -0.200511D+01  0.218091D+01
      3   0.235726D+01  0.785625D+00 -0.200511D+01 -0.201423D+01  0.420945D+01
               116           117           118           119           120 
      1   0.218091D+01  0.420945D+01 -0.692667D+00  0.183143D+01  0.147131D+01
      2  -0.361941D+01 -0.153728D+01  0.183143D+01 -0.330448D+01  0.285213D+00
      3  -0.153728D+01 -0.863772D+01  0.147131D+01  0.285213D+00  0.159055D+00
               121           122           123           124           125 
      1   0.250478D+01 -0.344367D+01  0.293909D+00  0.493415D+01 -0.999962D+00
      2  -0.344367D+01  0.369493D+01  0.107507D+01 -0.999962D+00  0.194234D+01
      3   0.293909D+00  0.107507D+01 -0.233317D+00  0.221445D+01 -0.216291D+01
               126           127           128           129           130 
      1   0.221445D+01 -0.208925D+01 -0.113527D+01 -0.159688D+01 -0.174796D+01
      2  -0.216291D+01 -0.113527D+01 -0.103750D+01 -0.107612D+01 -0.912919D+00
      3   0.474396D+01 -0.159688D+01 -0.107612D+01 -0.145238D+01 -0.156474D+01
               131           132           133           134           135 
      1  -0.912919D+00 -0.156474D+01 -0.204038D+01 -0.118317D+01 -0.206391D+01
      2  -0.157385D+01 -0.165765D+01 -0.118317D+01 -0.236599D+01 -0.276561D+01
      3  -0.165765D+01 -0.276708D+01 -0.206391D+01 -0.276561D+01 -0.538575D+01
               136           137           138           139           140 
      1   0.367293D+01 -0.250002D+00 -0.202068D+01 -0.573311D+00  0.225788D+00
      2  -0.250002D+00  0.525923D+00  0.235977D+00  0.225788D+00 -0.498356D+00
      3  -0.202068D+01  0.235977D+00  0.206500D+01  0.597822D+00 -0.501875D+00
               141           142           143           144           145 
      1   0.597822D+00 -0.284913D+01  0.728313D+00  0.276538D+01  0.214262D+01
      2  -0.501875D+00  0.728313D+00 -0.111219D+01 -0.114290D+01  0.129077D+01
      3  -0.154680D+01  0.276538D+01 -0.114290D+01 -0.512863D+01  0.179377D+01
               146           147           148           149           150 
      1   0.129077D+01  0.179377D+01  0.135508D+01  0.781150D+00  0.149816D+01
      2   0.102170D+01  0.112144D+01  0.781150D+00  0.115205D+01  0.153500D+01
      3   0.112144D+01  0.189924D+01  0.149816D+01  0.153500D+01  0.299210D+01
               151           152           153           154           155 
      1   0.192782D+01  0.118720D+01  0.227825D+01 -0.319935D+01  0.286524D+00
      2   0.118720D+01  0.220283D+01  0.272390D+01  0.286524D+00 -0.344744D+00
      3   0.227825D+01  0.272390D+01  0.637397D+01  0.255742D+01 -0.215829D+00
               156           157           158           159           160 
      1   0.255742D+01  0.273230D+00 -0.208146D+00 -0.452968D+00  0.314793D+01
      2  -0.215829D+00 -0.208146D+00  0.316591D+00  0.483662D+00 -0.708206D+00
      3  -0.306943D+01 -0.452968D+00  0.483662D+00  0.161583D+01 -0.331366D+01
               161           162           163           164           165 
      1  -0.708206D+00 -0.331366D+01 -0.233859D+01 -0.911660D-01  0.158367D+01
      2   0.100077D+01  0.110363D+01 -0.911660D-01 -0.759745D+00  0.616198D+00
      3   0.110363D+01  0.665702D+01  0.158367D+01  0.616198D+00 -0.180496D+01
               166           167           168           169           170 
      1   0.187210D+01 -0.648685D+00  0.204059D+00  0.411126D+01  0.806764D+00
      2  -0.648685D+00 -0.909403D+00  0.678373D+00  0.806764D+00  0.135676D+01
      3   0.204059D+00  0.678373D+00 -0.862129D-01 -0.221702D+01 -0.152700D+01
               171           172           173           174           175 
      1  -0.221702D+01 -0.189656D+01 -0.122419D+01 -0.593799D+00 -0.373722D+01
      2  -0.152700D+01 -0.122419D+01 -0.940499D+00  0.387824D-01 -0.281424D+01
      3   0.582959D+01 -0.593799D+00  0.387824D-01 -0.256940D+00 -0.335235D+00
               176           177           178           179           180 
      1  -0.281424D+01 -0.335235D+00 -0.483915D+01 -0.964010D+00 -0.114743D+01
      2  -0.850497D+01 -0.974066D+00 -0.964010D+00 -0.244321D+01 -0.126496D+01
      3  -0.974066D+00 -0.945521D+00 -0.114743D+01 -0.126496D+01 -0.419636D+00
               181           182           183           184           185 
      1   0.226650D+01 -0.766844D+00 -0.118419D+01 -0.160819D+01  0.197474D+00
      2  -0.766844D+00  0.504707D+00 -0.264005D+00  0.197474D+00  0.560014D+00
      3  -0.118419D+01 -0.264005D+00  0.148973D+01 -0.193937D+00 -0.643878D+00
               186           187           188           189           190 
      1  -0.193937D+00 -0.250174D+01 -0.204658D+00  0.970885D+00 -0.138492D+01
      2  -0.643878D+00 -0.204658D+00 -0.114966D+01  0.184985D-01  0.944313D+00
      3   0.135402D+00  0.970885D+00  0.184985D-01 -0.684971D+01  0.132014D+01
               191           192           193           194           195 
      1   0.944313D+00  0.132014D+01  0.399805D+00 -0.494390D+00  0.474197D-01
      2  -0.972817D+00 -0.307523D+00 -0.494390D+00  0.435496D+00  0.548645D+00
      3  -0.307523D+00 -0.195103D+01  0.474197D-01  0.548645D+00  0.238713D+00
               196           197           198           199           200 
      1   0.265297D+01 -0.697867D+00 -0.229019D+01 -0.404064D+01  0.317927D+01
      2  -0.697867D+00  0.189233D+01  0.156016D+01  0.317927D+01 -0.308763D+01
      3  -0.229019D+01  0.156016D+01  0.611129D+01 -0.145343D+01  0.106162D+01
               201           202           203           204           205 
      1  -0.145343D+01  0.296464D+01 -0.302935D+01  0.121001D+01 -0.294142D+01
      2   0.106162D+01 -0.302935D+01  0.440140D+01 -0.178759D+01  0.198305D+01
      3  -0.149533D+01  0.121001D+01 -0.178759D+01  0.137758D+01 -0.198542D+01
               206           207           208           209           210 
      1   0.198305D+01 -0.198542D+01  0.797397D+01  0.156598D+01  0.231412D+00
      2  -0.314167D+01  0.183968D+01  0.156598D+01  0.288196D+01  0.133354D+00
      3   0.183968D+01 -0.167413D+01  0.231412D+00  0.133354D+00  0.522665D+00
               211           212           213           214           215 
      1   0.159170D+01  0.149368D+01  0.133208D+00  0.400571D+00  0.573665D-02
      2   0.149368D+01  0.209024D+01 -0.138870D+00  0.573665D-02 -0.341325D+00
      3   0.133208D+00 -0.138870D+00  0.638872D+00  0.243258D-01  0.686508D+00
               216           217           218           219           220 
      1   0.243258D-01 -0.309309D+01 -0.131523D+00  0.167245D+01  0.386977D+00
      2   0.686508D+00 -0.131523D+00 -0.636067D+00  0.364539D+00 -0.960712D+00
      3   0.368130D+00  0.167245D+01  0.364539D+00 -0.197876D+01  0.276029D+00
               221           222           223           224           225 
      1  -0.960712D+00  0.276029D+00  0.499440D+01  0.989132D+00 -0.329625D+01
      2  -0.776856D+00  0.372473D+00  0.989132D+00  0.127177D+01 -0.650475D+00
      3   0.372473D+00 -0.170125D+00 -0.329625D+01 -0.650475D+00  0.523866D+01
               226           227           228           229           230 
      1  -0.202354D+00 -0.699794D+00 -0.331606D+00 -0.280389D+01 -0.262010D+01
      2  -0.699794D+00 -0.396218D+00 -0.391443D-01 -0.262010D+01 -0.770956D+01
      3  -0.331606D+00 -0.391443D-01 -0.399871D+00 -0.788873D+00 -0.245722D+01
               231           232           233           234           235 
      1  -0.788873D+00 -0.130409D+01 -0.655505D+00 -0.132720D+01 -0.645836D+01
      2  -0.245722D+01 -0.655505D+00 -0.264890D+01 -0.163654D+01  0.183083D+01
      3  -0.191028D+01 -0.132720D+01 -0.163654D+01 -0.135638D+01 -0.252445D+01
               236           237           238           239           240 
      1   0.183083D+01 -0.252445D+01  0.538402D+01 -0.202909D+01  0.191609D+01
      2  -0.134890D+01  0.910606D+00 -0.202909D+01  0.159066D+01 -0.138921D+01
      3   0.910606D+00 -0.209264D+01  0.191609D+01 -0.138921D+01  0.165867D+01
               241           242           243           244           245 
      1  -0.461913D+01  0.107857D+01 -0.327671D+01 -0.153879D+00  0.291698D+00
      2   0.107857D+01 -0.163569D+01  0.902363D+00  0.291698D+00  0.753401D+00
      3  -0.327671D+01  0.902363D+00 -0.247352D+01  0.163293D+01  0.326810D+00
               246           247           248           249           250 
      1   0.163293D+01  0.512194D+00  0.130817D+01  0.475656D+00  0.317144D+01
      2   0.326810D+00  0.130817D+01  0.175178D+01  0.116015D+01  0.724718D+00
      3   0.104556D+01  0.475656D+00  0.116015D+01  0.175974D+01  0.162769D+01
               251           252           253           254           255 
      1   0.724718D+00  0.162769D+01 -0.778768D+01 -0.552600D+01  0.839301D+00
      2   0.185418D+01  0.168134D+01 -0.552600D+01  0.172769D+01  0.422215D+00
      3   0.168134D+01  0.512122D+01  0.839301D+00  0.422215D+00  0.898883D+00
               256           257           258           259           260 
      1  -0.190938D+01  0.328536D+01 -0.561322D+00 -0.325552D+01 -0.997032D+00
      2   0.328536D+01 -0.733794D+00 -0.185972D+01 -0.997032D+00 -0.314172D+01
      3  -0.561322D+00 -0.185972D+01  0.268867D+01  0.219375D+01  0.249376D+01
               261           262           263           264           265 
      1   0.219375D+01  0.413432D+01 -0.324826D+01  0.110113D+01 -0.427875D+01
      2   0.249376D+01 -0.324826D+01  0.333738D+01 -0.744115D+00  0.464874D+01
      3   0.275595D+01  0.110113D+01 -0.744115D+00  0.103291D+01 -0.103228D+01
               266           267           268           269           270 
      1   0.464874D+01 -0.103228D+01 -0.983028D+00  0.101356D+01  0.426368D+00
      2  -0.658133D+01  0.131763D+01  0.101356D+01 -0.111021D+01 -0.446545D+00
      3   0.131763D+01 -0.155594D+01  0.426368D+00 -0.446545D+00  0.478214D+00
               271           272           273           274           275 
      1  -0.145730D+01  0.191821D+01  0.110289D+00  0.198867D+01 -0.142068D+01
      2   0.191821D+01 -0.365218D+01  0.305633D+00 -0.142068D+01  0.657327D+01
      3   0.110289D+00  0.305633D+00 -0.830977D+00 -0.624276D-01 -0.742898D-01
               276           277           278           279           280 
      1  -0.624276D-01  0.875175D+00 -0.163848D-02 -0.424521D+00  0.259167D+00
      2  -0.742898D-01 -0.163848D-02  0.155532D+01  0.457566D+00  0.174122D+00
      3   0.766366D+00 -0.424521D+00  0.457566D+00 -0.326896D-02 -0.690235D+00
               281           282           283           284           285 
      1   0.174122D+00 -0.690235D+00 -0.803462D+00 -0.523488D+00  0.101697D+00
      2  -0.518536D+00  0.114884D+00 -0.523488D+00 -0.784497D+00 -0.164227D+00
      3   0.114884D+00 -0.813307D+00  0.101697D+00 -0.164227D+00 -0.131143D+01
               286           287           288           289           290 
      1  -0.181085D+01 -0.398309D+00  0.815982D-01  0.120225D+02  0.514258D+01
      2  -0.398309D+00 -0.158952D+01  0.153400D+00  0.514258D+01  0.358148D+01
      3   0.815982D-01  0.153400D+00 -0.617839D+01 -0.157535D+01 -0.993536D+00
               291           292           293           294           295 
      1  -0.157535D+01  0.335762D+01  0.244918D+01 -0.460463D+00  0.377849D-01
      2  -0.993536D+00  0.244918D+01  0.248301D+01 -0.327415D+00  0.134746D-01
      3   0.137148D+01 -0.460463D+00 -0.327415D+00  0.225450D+00  0.965996D+00
               296           297 
      1   0.134746D-01  0.965996D+00
      2   0.381660D+00  0.381044D+00
      3   0.381044D+00 -0.514854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.191808D+01  0.656241D+00 -0.264427D+01  0.587542D+01  0.919825D+00
      2  -0.143223D+02  0.194510D+01  0.804714D+01  0.438205D+01 -0.520443D+00
      3  -0.299061D+01 -0.340384D+01 -0.365794D+01  0.130119D+02 -0.156932D+00
                 6             7             8             9            10 
      1  -0.273969D+01 -0.491809D+01  0.225598D+01  0.799194D+00 -0.547476D+01
      2  -0.921222D+00  0.431391D+01 -0.132392D+01 -0.444497D+01  0.187895D+02
      3  -0.347795D+01 -0.218638D+01  0.114878D+01  0.461532D+01  0.186514D+01
                11            12            13            14            15 
      1   0.621695D+00  0.189951D+01  0.928093D+00 -0.507632D+01 -0.757386D+01
      2   0.180288D+01 -0.343070D+01 -0.357707D+00  0.160542D+01 -0.199769D+01
      3   0.192378D+01  0.636523D+00  0.127360D+02 -0.268530D+00 -0.107007D+01
                16            17            18            19            20 
      1   0.881190D+01  0.535433D-01  0.420114D+01 -0.739982D+00 -0.801167D+00
      2  -0.231961D+02 -0.195738D+01  0.282474D+01  0.920214D+01  0.276718D+01
      3   0.614167D+01 -0.155026D+01 -0.361182D+01 -0.484706D+01 -0.151584D+01
                21            22            23            24            25 
      1   0.799621D+00 -0.725023D+01 -0.384982D+01 -0.213375D+01  0.121300D+01
      2   0.505331D+01  0.821668D+01  0.364888D+01  0.190916D+01  0.318262D+01
      3  -0.484674D+00  0.111484D+02  0.276901D+01  0.234837D+01 -0.612092D+01
                26            27            28            29            30 
      1   0.230634D+01 -0.183661D+01  0.278113D+01  0.273641D+01  0.418719D+01
      2   0.179447D+01  0.188723D+01 -0.159375D+02 -0.387728D+01 -0.160226D+01
      3  -0.712095D+00 -0.200293D+01 -0.267495D+01  0.222205D+00  0.143212D+01
                31            32            33            34            35 
      1   0.659636D+01 -0.167807D+01 -0.806855D+01  0.621395D+01  0.128057D+00
      2  -0.692276D+01 -0.519744D+01 -0.231092D+01 -0.246756D+02 -0.243151D+01
      3   0.100744D+02  0.503871D+01 -0.203457D+00  0.315937D+01  0.297785D+01
                36            37            38            39            40 
      1   0.384368D+01 -0.396260D+01 -0.293905D-01 -0.103141D+01  0.436700D+01
      2   0.268589D+01  0.595195D+01  0.476214D+01  0.445968D+01  0.464464D+01
      3  -0.304781D+01 -0.177055D+01 -0.270969D+01 -0.314722D+01  0.977344D+01
                41            42            43            44            45 
      1   0.394238D+01 -0.838788D+00 -0.440160D+00  0.237473D+01  0.235903D+00
      2   0.612597D+00 -0.103966D+00 -0.128842D+02 -0.288821D+01 -0.399950D+00
      3  -0.828233D+00 -0.386044D+01  0.187520D+01 -0.138666D+01  0.335144D+01
                46            47            48            49            50 
      1   0.497181D+01 -0.216940D+01 -0.872870D+00 -0.688408D+01 -0.104443D+01
      2  -0.735415D+01 -0.207540D+01  0.398786D+01 -0.487204D+01  0.627045D+00
      3  -0.428600D+01 -0.145144D+01 -0.358037D+00  0.982387D+01  0.238281D+01
                51            52            53            54            55 
      1  -0.200610D+01  0.476125D+01  0.341658D+01 -0.642660D+00  0.479104D+01
      2   0.257694D+01 -0.100839D+02 -0.129096D+01  0.525885D-01 -0.861082D+01
      3   0.361550D+01 -0.673240D+01  0.649828D+00 -0.164597D+01 -0.110378D+02
                56            57            58            59            60 
      1  -0.138342D+01  0.107410D+01 -0.359442D+01  0.685357D+01 -0.110507D+01
      2   0.110549D+01 -0.267994D+01  0.336995D+01 -0.971343D+01 -0.884127D+00
      3   0.230326D+01 -0.209298D+01  0.247350D+02  0.153835D+02  0.705120D+01
                61            62            63            64            65 
      1   0.470056D+01  0.357877D+01 -0.603992D+01 -0.493105D+01  0.454550D+00
      2  -0.251576D+02 -0.371049D+01  0.178370D+02  0.321161D+01 -0.365501D+01
      3  -0.809947D+01  0.860544D+01 -0.145682D+01  0.231704D+02 -0.768651D+01
                66            67            68            69            70 
      1  -0.224652D+00  0.718967D+00  0.953750D+00 -0.180139D+01 -0.400625D+01
      2   0.172527D+02 -0.101367D+02  0.856561D+01  0.578090D+00  0.201964D+02
      3   0.549898D+01 -0.833318D+01 -0.165946D+02 -0.747120D+01  0.104114D+02
                71            72            73            74            75 
      1   0.470532D+01 -0.396649D+00 -0.409816D+00  0.310647D+01 -0.600862D+01
      2  -0.500622D+00 -0.314761D+02 -0.167466D+01  0.723186D+01 -0.101592D+02
      3  -0.926208D+01  0.234773D+01 -0.288856D+02 -0.861060D+01 -0.515055D+01
                76            77            78            79            80 
      1   0.380871D+01 -0.712485D+01  0.100037D+01 -0.818218D+01  0.638537D+01
      2   0.939765D+01 -0.941196D+01  0.520939D+01 -0.187787D+02  0.770776D+01
      3  -0.267125D+01  0.688875D+01  0.657699D+01 -0.615554D+01  0.930499D+01
                81            82            83            84            85 
      1   0.841725D+01  0.219706D+01 -0.125632D+01  0.358579D+01 -0.242618D+01
      2   0.182316D+02 -0.208912D+01  0.748425D+01 -0.188938D+02  0.960105D+01
      3  -0.200345D+01 -0.199910D+02  0.587044D+01 -0.967783D+01  0.221773D+02
                86            87            88            89            90 
      1  -0.149506D-01 -0.329058D+01  0.531669D+01  0.145009D+00 -0.191542D+01
      2  -0.194037D+02 -0.141460D+01 -0.341367D+02 -0.360472D+01  0.207737D+02
      3   0.286544D+02  0.218144D+02 -0.104522D+02  0.203952D+02 -0.219086D+01
                91            92            93            94            95 
      1  -0.202860D+01 -0.762143D+00  0.234184D+01  0.141013D+01 -0.123024D+00
      2   0.134090D+01  0.149382D+01  0.869852D+00  0.169415D+01  0.542741D+01
      3  -0.120338D+02  0.155565D+01 -0.113634D+01  0.321971D+02 -0.267943D+01
                96            97            98            99           100 
      1  -0.115229D+01  0.505385D+01  0.742763D+01  0.251348D+01  0.228485D+01
      2  -0.965158D+01 -0.153957D+02 -0.107836D+02 -0.114671D+02  0.104344D+00
      3  -0.369477D+01 -0.192615D+01 -0.613105D+01  0.806164D+01  0.238259D+02
               101           102           103           104           105 
      1   0.344314D+01 -0.672286D+01 -0.113770D+01  0.998805D+00 -0.335514D+01
      2  -0.937793D-01 -0.742477D+00  0.896176D+00 -0.306193D+01  0.174569D+02
      3  -0.106028D+02  0.196592D+01 -0.215269D+01 -0.506571D+01  0.415519D+00
               106           107           108           109           110 
      1  -0.314736D+01 -0.708715D+01  0.202277D+01 -0.194200D+01 -0.353910D+01
      2  -0.695285D+01  0.924173D+01  0.169695D+02 -0.106301D+02  0.419106D+00
      3   0.114334D+02 -0.961996D+01 -0.849752D+01 -0.205497D+01 -0.478743D+01
               111           112           113           114           115 
      1   0.330201D+01 -0.104585D+01  0.126563D+01 -0.350726D+01 -0.114934D+00
      2   0.116460D+02 -0.144971D+01 -0.740447D+01 -0.111719D+02  0.550178D+01
      3  -0.206924D+00 -0.510216D+01  0.956360D+01  0.829948D+01 -0.109906D+02
               116           117           118           119           120 
      1   0.915222D+01 -0.631167D+01  0.270242D+01 -0.730253D+00  0.347327D+00
      2  -0.435525D+01 -0.365379D+02  0.629379D+01 -0.354122D+00  0.259241D+01
      3   0.156988D+02  0.694110D+01 -0.891843D+01  0.936027D+01 -0.287512D+01
               121           122           123           124           125 
      1  -0.128190D+01  0.198667D+01 -0.175075D+01 -0.286471D+01  0.762243D+01
      2   0.223213D+01  0.668348D+01 -0.243682D+01  0.102989D+01 -0.592671D+01
      3   0.115027D+02 -0.990704D+01 -0.448426D+01  0.270569D+01 -0.809815D+01
               126           127           128           129           130 
      1   0.483138D+01 -0.552040D+00  0.137958D+01 -0.528839D+00 -0.870693D+00
      2   0.191369D+02 -0.424235D+01 -0.457697D+00 -0.270014D+00 -0.196673D+01
      3   0.701867D+01  0.242029D+01 -0.301315D+00  0.495434D+00  0.336169D+01
               131           132           133           134           135 
      1   0.459216D+00 -0.337427D+01 -0.965992D+00  0.247607D+01 -0.255820D+01
      2   0.193354D+00  0.628201D+00 -0.352035D+01  0.447354D+00  0.212278D+01
      3  -0.103783D+01  0.151912D+00  0.200938D+01 -0.183902D+01 -0.338973D+00
               136           137           138           139           140 
      1  -0.122887D+01 -0.200886D+01  0.184290D+01 -0.243024D+00  0.817619D-01
      2   0.696816D+01 -0.292239D+00 -0.676532D+00  0.885064D+00  0.257758D+00
      3  -0.313228D+01 -0.940846D+00  0.120740D+01  0.824396D+00  0.685798D+00
               141           142           143           144           145 
      1  -0.170693D+01  0.763449D+00  0.328682D+01 -0.114892D+01  0.145985D+01
      2  -0.893243D+00 -0.509556D+01  0.192013D+00 -0.137374D+01 -0.488626D+01
      3  -0.282442D+00  0.162409D+01  0.181939D+01 -0.101110D+01  0.783220D+00
               146           147           148           149           150 
      1   0.255324D+01  0.463582D+00  0.198146D+00  0.146029D+01 -0.166263D+01
      2  -0.140917D+01 -0.719492D+00 -0.296336D+01 -0.625387D+00 -0.380568D+00
      3  -0.824831D+00 -0.726141D-01  0.211513D+01 -0.678337D+00 -0.227943D+00
               151           152           153           154           155 
      1   0.688347D+00  0.460131D+01  0.219461D+00  0.194329D+00 -0.229221D+01
      2  -0.422037D+01 -0.532599D+00  0.726926D+00  0.634311D+01 -0.451684D+00
      3   0.758625D+00 -0.233224D+01 -0.919393D+00 -0.112909D+01 -0.133661D+01
               156           157           158           159           160 
      1   0.661581D+00  0.237538D+00  0.592225D+00 -0.116690D+01 -0.137802D+01
      2  -0.508031D+00  0.463682D+00  0.288087D-01 -0.100804D+01 -0.565196D+01
      3   0.462259D+00  0.160781D+01  0.427987D+00  0.142709D+00  0.600105D-01
               161           162           163           164           165 
      1   0.414711D+01  0.121199D+01  0.182048D+01 -0.414675D+00 -0.197165D+01
      2   0.487300D+00 -0.116497D+01 -0.455600D+01 -0.208932D+01  0.699478D+01
      3   0.201568D+01 -0.517823D+00  0.273067D+01 -0.343145D+01  0.150913D+00
               166           167           168           169           170 
      1   0.784423D+00  0.167168D+00 -0.113426D+01 -0.188987D+01  0.174752D+01
      2  -0.208824D+01 -0.127546D+01 -0.170700D+00  0.616952D+00  0.408339D+01
      3  -0.108265D+01 -0.208260D+01  0.138198D+01 -0.189504D+01  0.416013D+01
               171           172           173           174           175 
      1   0.716757D+01 -0.119512D+01 -0.262334D+00 -0.100643D+01 -0.138805D+01
      2  -0.181882D+02  0.402455D+01  0.696873D+00  0.254489D+01  0.289532D+01
      3  -0.128454D+01 -0.145923D+01 -0.290244D+01  0.417059D+00 -0.153400D+01
               176           177           178           179           180 
      1  -0.479402D+01 -0.437573D+01 -0.196179D+01 -0.169330D+01 -0.134612D+01
      2   0.621305D+01  0.378912D+01  0.398879D+01  0.453916D+01  0.104492D+01
      3  -0.234094D+02 -0.215814D+01  0.187481D+01 -0.719729D+01 -0.226460D+01
               181           182           183           184           185 
      1   0.191461D+01 -0.131316D+01  0.108414D+00 -0.389269D+00 -0.666987D+00
      2   0.101780D+02  0.230378D+00 -0.682848D+01 -0.643847D+00  0.298841D+01
      3  -0.333706D+01  0.136203D+01 -0.673339D+00  0.335828D+01  0.224054D+01
               186           187           188           189           190 
      1  -0.833031D+00 -0.400716D+00  0.333012D+01  0.374897D+00 -0.258575D+01
      2  -0.370830D+00 -0.109222D+02 -0.606919D-01  0.286756D+02 -0.481614D+01
      3  -0.242305D+01 -0.554311D+00 -0.381844D+01  0.201893D+00  0.249579D+01
               191           192           193           194           195 
      1  -0.315469D+00  0.401385D+01  0.106689D+00 -0.103398D+01 -0.184187D+01
      2   0.121910D+01  0.842423D+01 -0.231130D+00 -0.178906D+01 -0.486082D+00
      3  -0.372693D+01  0.420669D+00  0.142195D+00  0.721280D+00  0.170481D+01
               196           197           198           199           200 
      1   0.412102D+01  0.609795D+00 -0.121192D+02  0.267242D+01 -0.156445D+01
      2   0.462863D+01 -0.582333D+01 -0.246487D+02  0.591512D+01 -0.464078D+01
      3   0.186962D+01  0.785949D+01  0.323034D+01  0.611003D+01 -0.989701D+01
               201           202           203           204           205 
      1   0.449232D+01 -0.315214D+01  0.289650D+01 -0.447003D+01  0.391288D+01
      2   0.796773D+01 -0.481085D+01  0.761452D+01 -0.693231D+01  0.692034D+01
      3   0.198922D+01 -0.399443D+01  0.140401D+02 -0.484303D+01  0.258782D+01
               206           207           208           209           210 
      1  -0.152283D+01  0.383456D+01 -0.190157D+01 -0.167196D+00 -0.237559D+01
      2  -0.762654D+01  0.730008D+01 -0.269736D+01 -0.791434D+00 -0.102036D+01
      3  -0.107627D+02  0.453395D+01  0.263727D+02  0.127517D+02  0.133715D+01
               211           212           213           214           215 
      1  -0.780254D+00  0.442895D+00 -0.200776D+01 -0.161725D+01  0.306167D+00
      2  -0.110131D+01  0.310979D+00 -0.113334D+01 -0.346223D+01 -0.208151D+01
      3   0.121308D+02  0.960926D+01 -0.190357D+00  0.161823D+01 -0.108486D+01
               216           217           218           219           220 
      1  -0.112185D+01  0.139748D+01 -0.755548D-01 -0.190082D+01  0.613747D+00
      2  -0.151205D+01 -0.107896D+02 -0.223748D+01  0.134890D+02 -0.165639D+01
      3   0.284162D+01  0.135190D+01 -0.464061D+01  0.775066D+00 -0.369922D+01
               221           222           223           224           225 
      1   0.417403D+00 -0.122381D+01 -0.230537D+01  0.171696D+01  0.408864D+01
      2  -0.220276D+01  0.129794D+01  0.169448D+02  0.373775D+01 -0.321869D+02
      3  -0.348816D+01  0.144152D+01  0.164106D+01  0.744761D+01 -0.884525D+00
               226           227           228           229           230 
      1   0.397444D+00  0.277936D+00 -0.336902D+00  0.726468D+00  0.350708D+01
      2   0.219613D+01 -0.198155D+00  0.247660D+01  0.184587D+01  0.127125D+02
      3  -0.432179D+01 -0.277941D+01 -0.139398D+00 -0.815280D+01 -0.406029D+02
               231           232           233           234           235 
      1  -0.278419D+01 -0.563419D+00  0.164120D+01 -0.677024D+00 -0.280721D+01
      2   0.109051D+02  0.478023D+01  0.857698D+01  0.640004D+01  0.969105D+01
      3  -0.129053D+02 -0.186222D+01 -0.145012D+02 -0.761886D+01  0.136703D+02
               236           237           238           239           240 
      1   0.223266D+01 -0.133116D+01  0.212674D+01 -0.267974D+01  0.631540D+00
      2  -0.396946D+01  0.128279D+02 -0.710701D+01  0.685334D+01 -0.929089D+01
      3  -0.112310D+02  0.680020D+01 -0.122692D+02  0.111244D+02 -0.888767D+01
               241           242           243           244           245 
      1  -0.222166D+01  0.333196D+01 -0.137127D+01 -0.187567D+01 -0.116584D-01
      2   0.139092D+02 -0.444943D+01  0.124904D+02  0.598784D+01  0.141759D+01
      3   0.832605D+01 -0.111708D+02  0.698755D+01 -0.105268D+01 -0.290266D+01
               246           247           248           249           250 
      1  -0.118694D+01 -0.530491D+00 -0.717513D-01 -0.253769D+01 -0.110947D+01
      2   0.339460D+01  0.119508D+01  0.298056D+01  0.570664D+01 -0.258732D+00
      3   0.200217D+00 -0.175632D+01 -0.406023D+01 -0.291516D+01  0.514923D+00
               251           252           253           254           255 
      1   0.154948D+01 -0.502303D+01  0.344433D+01 -0.357217D+01 -0.436728D+01
      2   0.487605D+01  0.158529D+02 -0.577811D+01 -0.467934D+01  0.720270D+01
      3  -0.472729D+01 -0.403285D+01  0.234439D+01 -0.195635D+02 -0.460962D-01
               256           257           258           259           260 
      1  -0.917345D+00  0.697026D+01 -0.640982D+01 -0.453423D+01 -0.116263D+01
      2  -0.641473D+01 -0.519781D+01  0.966978D+01  0.786960D+01  0.988662D+01
      3  -0.159154D+02  0.758491D+01  0.627788D+01  0.757295D+00  0.950664D+01
               261           262           263           264           265 
      1  -0.112443D+02 -0.196455D+01  0.253472D+01  0.145014D+01  0.357819D+01
      2   0.117237D+02  0.114991D+01 -0.517868D+00  0.402498D+01 -0.360390D+00
      3  -0.574275D+01  0.829718D+01 -0.112485D+02  0.291240D+01 -0.128691D+02
               266           267           268           269           270 
      1  -0.484550D+01 -0.181451D+01  0.350507D-01  0.782608D-01 -0.112002D+01
      2   0.140606D+01 -0.625394D+01  0.102263D+01 -0.151511D+01  0.650554D+00
      3   0.239319D+02 -0.447329D+01 -0.305361D+01  0.439432D+01  0.142302D+01
               271           272           273           274           275 
      1  -0.252285D+01  0.282412D+01  0.346912D+01  0.192442D+01 -0.603062D+01
      2  -0.161730D+01  0.254691D+01 -0.156010D+01  0.199872D+01 -0.234532D+01
      3  -0.115930D+02  0.139549D+02 -0.491479D-01  0.113110D+02 -0.229622D+02
               276           277           278           279           280 
      1  -0.359711D+01  0.205036D+01 -0.837358D+00 -0.912162D+00  0.232913D+01
      2   0.123834D+01 -0.211590D+01  0.785417D+00 -0.406786D+00 -0.386621D+01
      3  -0.202113D+00  0.243296D+01 -0.460664D+01 -0.247602D+01 -0.523348D+00
               281           282           283           284           285 
      1   0.131602D+01  0.205359D+01  0.128507D+01  0.351908D+01  0.252490D+01
      2  -0.342161D+00 -0.312382D+01 -0.258801D+01 -0.145630D+01 -0.466124D+01
      3   0.144571D+01 -0.125382D+01  0.171162D+01  0.167030D+01  0.505273D+00
               286           287           288           289           290 
      1   0.123467D+01  0.485821D+01  0.141388D+02 -0.115401D+01 -0.146787D+01
      2  -0.442456D+01 -0.486702D+00 -0.198945D+02  0.445968D+01  0.391743D+00
      3  -0.173822D+01  0.392682D+01 -0.667094D+00  0.617501D+01 -0.548016D+01
               291           292           293           294           295 
      1  -0.358258D+01 -0.133444D+01 -0.178250D+01 -0.133612D+01 -0.182907D+01
      2   0.640205D+01  0.195267D+01  0.875739D+00  0.150842D+01  0.186381D+01
      3   0.938075D+00 -0.468669D-01 -0.446952D+01 -0.199467D-01 -0.346341D-01
               296           297 
      1   0.295677D+00  0.126685D+01
      2   0.567631D+00 -0.162230D+01
      3  -0.111027D+01  0.661427D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.563334D+01 -0.362646D+01 -0.179121D+02  0.104269D+02 -0.117225D+02
      2  -0.125874D+00 -0.348560D+00  0.288209D+01 -0.879868D+00  0.189708D+02
      3   0.575922D+01  0.397502D+01  0.150300D+02 -0.954704D+01 -0.724828D+01
      4  -0.656902D+01 -0.295045D+01 -0.773612D+01  0.245639D+01 -0.143440D+01
      5  -0.164076D+02 -0.669589D+01  0.847059D+00 -0.738830D+01 -0.206308D+01
      6  -0.935120D+01 -0.490101D+00 -0.101201D+01 -0.306971D+01  0.845621D+00
                 6             7             8             9            10 
      1  -0.384827D+01  0.293072D+02  0.110670D+02  0.134114D+02  0.580188D+02
      2   0.806918D+01 -0.785459D+01 -0.207248D+01 -0.600921D+01 -0.217355D+02
      3  -0.422092D+01 -0.214527D+02 -0.899456D+01 -0.740221D+01 -0.362833D+02
      4  -0.132849D+01  0.469504D+01  0.113509D+01 -0.434853D+01  0.703421D+01
      5  -0.711812D+01  0.123310D+02 -0.393557D+01 -0.424212D+01  0.663953D+01
      6   0.148714D+01 -0.585800D+01 -0.417291D+01 -0.110156D+02  0.574194D+00
                11            12            13            14            15 
      1   0.568295D+01  0.390762D+01  0.259258D+01 -0.217067D+01 -0.599494D+01
      2  -0.809766D+00  0.337843D+01  0.360071D+01  0.767483D+01  0.280831D+01
      3  -0.487318D+01 -0.728605D+01 -0.619329D+01 -0.550416D+01  0.318663D+01
      4   0.184540D+00  0.365513D+01  0.156702D+02  0.424979D+01  0.441228D+00
      5   0.475667D+01  0.571823D+01 -0.844357D+01  0.777469D+00  0.181389D+01
      6   0.640440D+00  0.222704D+01 -0.740214D+01 -0.538714D+01  0.919439D+01
                16            17            18            19            20 
      1   0.932149D+01 -0.666150D+01 -0.149881D+02  0.550378D+01  0.110339D+02
      2  -0.438823D+01 -0.439285D+01  0.396053D+00  0.409354D+01 -0.906340D+01
      3  -0.493326D+01  0.110543D+02  0.145920D+02 -0.959732D+01 -0.197052D+01
      4  -0.115318D+02  0.372528D+00 -0.600625D+00  0.165019D+01  0.566278D+01
      5  -0.110424D+02  0.259939D+00 -0.351586D+01  0.168604D+02  0.278797D+01
      6  -0.234230D+01  0.142421D+01  0.550964D+01  0.671149D+01 -0.188490D+01
                21            22            23            24            25 
      1   0.189772D+02 -0.874537D+01 -0.349249D+01  0.144314D+02 -0.200950D+02
      2  -0.869549D+01 -0.225321D+01  0.636417D+01  0.513113D+00  0.335099D+01
      3  -0.102817D+02  0.109986D+02 -0.287169D+01 -0.149445D+02  0.167440D+02
      4   0.407988D+01  0.671178D+01 -0.617211D+01 -0.759809D+00 -0.247112D+01
      5  -0.457431D+01  0.838374D+01  0.114582D+01  0.673688D+00  0.934198D+01
      6  -0.450574D+01  0.340889D+01 -0.291127D+00  0.440899D+01  0.124485D+02
                26            27            28            29            30 
      1   0.369898D+01  0.512113D+01  0.132774D+02  0.314622D+01 -0.409610D+01
      2  -0.638493D+00  0.122370D+01 -0.107962D+01  0.704186D-01 -0.102851D+01
      3  -0.306049D+01 -0.634483D+01 -0.121978D+02 -0.321664D+01  0.512461D+01
      4   0.101859D+00  0.709739D+01  0.760414D+01  0.310876D+01  0.113619D+01
      5   0.615903D+01  0.609966D+01 -0.167999D+01  0.125411D+01  0.657142D+01
      6   0.588226D+01 -0.721644D+01 -0.742153D+01  0.212496D+01  0.263040D+01
                31            32            33            34            35 
      1  -0.678714D+01 -0.135730D+01 -0.736782D+01  0.380838D+01 -0.520329D+01
      2   0.647376D+01  0.553610D+01 -0.270612D-01 -0.602555D+01 -0.728087D+01
      3   0.313379D+00 -0.417880D+01  0.739488D+01  0.221717D+01  0.124842D+02
      4   0.190883D+02 -0.279253D+00 -0.256122D+01 -0.113596D+02 -0.659118D+01
      5  -0.131125D+02 -0.200494D+01  0.225733D+01 -0.128744D+02  0.666636D+00
      6  -0.187645D+01 -0.342899D+01  0.789951D+01 -0.599677D+01  0.943648D+00
                36            37            38            39            40 
      1  -0.194109D+02  0.907641D+01 -0.136301D+01 -0.231292D+02  0.472457D+01
      2   0.406920D+01 -0.851832D+01 -0.151702D+01  0.243345D+01  0.479513D+01
      3   0.153417D+02 -0.558094D+00  0.288003D+01  0.206958D+02 -0.951970D+01
      4   0.129389D+01 -0.823765D+01 -0.444100D+01 -0.867205D+01  0.977688D+01
      5   0.172330D+01 -0.698958D+01 -0.621902D+01 -0.426835D+01 -0.532109D+01
      6   0.698376D+01 -0.585301D+01  0.745860D+00 -0.544415D+01 -0.283220D+01
                41            42            43            44            45 
      1  -0.102525D+02  0.603332D+00  0.211238D+02  0.850325D+01  0.828469D+01
      2   0.137398D+02  0.776862D+01 -0.137119D+01  0.274336D+01 -0.548440D+01
      3  -0.348736D+01 -0.837196D+01 -0.197526D+02 -0.112466D+02 -0.280029D+01
      4   0.677758D+00 -0.167810D+01 -0.877979D+00  0.418333D+01 -0.489874D+01
      5  -0.129514D+01 -0.109599D+02  0.674922D+01 -0.562688D+01 -0.425118D+01
      6   0.361799D+01  0.571609D+01 -0.870567D+01 -0.329843D+01 -0.131366D+02
                46            47            48            49            50 
      1  -0.415330D+01  0.719139D+01  0.189963D+02 -0.250035D+02 -0.504326D+01
      2   0.810698D+01 -0.377122D+01 -0.801391D+01  0.806549D+01  0.400112D+01
      3  -0.395369D+01 -0.342017D+01 -0.109824D+02  0.169380D+02  0.104213D+01
      4  -0.175285D+01  0.753065D+01  0.368549D+01  0.103989D+02 -0.397662D+01
      5   0.106487D+02  0.848581D+00 -0.963018D+01  0.334027D+01 -0.269999D+01
      6   0.387815D+01 -0.444570D+01 -0.678026D+01  0.495475D+00 -0.116756D+01
                51            52            53            54            55 
      1   0.188572D+02 -0.313850D+02  0.296880D+01 -0.206649D+01 -0.535473D+02
      2   0.115148D+01  0.452174D+01  0.576144D+00  0.406534D+01  0.220064D+02
      3  -0.200087D+02  0.268633D+02 -0.354494D+01 -0.199885D+01  0.315408D+02
      4  -0.945630D+00 -0.548612D+01 -0.179742D+01  0.518769D+01  0.563572D+01
      5   0.170479D+01 -0.620485D+00  0.494435D+01  0.899958D+01 -0.592109D+01
      6   0.101153D+02  0.956425D+01  0.715667D+01 -0.100844D+02 -0.167629D+01
                56            57            58            59            60 
      1   0.745391D+01 -0.499572D+01  0.421491D+02 -0.231162D+00  0.114383D+02
      2  -0.471167D+01 -0.549687D+00 -0.311126D+02 -0.173619D+02 -0.103665D+02
      3  -0.274224D+01  0.554541D+01 -0.110365D+02  0.175930D+02 -0.107183D+01
      4  -0.934874D+01  0.410220D+01 -0.258179D+02 -0.393224D+02 -0.108754D+02
      5   0.367902D+01 -0.145062D+02  0.101466D+02 -0.109298D+02 -0.154415D+01
      6   0.136414D+01 -0.354149D+01 -0.249340D+00 -0.664612D+01 -0.956468D+00
                61            62            63            64            65 
      1  -0.336814D+02  0.899685D+01 -0.136263D+02 -0.642669D+01 -0.354236D+02
      2   0.722838D+01 -0.110629D+02  0.124969D+02  0.857455D+01  0.174944D+02
      3   0.264530D+02  0.206609D+01  0.112940D+01 -0.214785D+01  0.179293D+02
      4   0.684704D+01 -0.165418D+02 -0.857884D+01 -0.395875D+02  0.659550D+01
      5  -0.319347D+02 -0.816467D+01  0.372039D+02 -0.650280D+01 -0.111864D+02
      6  -0.652245D+01 -0.385088D+01  0.909740D+01 -0.332254D+01 -0.270814D+01
                66            67            68            69            70 
      1  -0.103402D+02 -0.783169D+02  0.121124D+02 -0.134512D+02  0.984970D+01
      2   0.134585D+01  0.416449D+02 -0.671891D+01  0.592984D+01 -0.430504D+01
      3   0.899434D+01  0.366720D+02 -0.539345D+01  0.752132D+01 -0.554465D+01
      4  -0.101134D+02  0.150060D+02  0.361441D+02  0.147154D+02 -0.122343D+02
      5   0.239785D+02 -0.213630D+02  0.154960D+02 -0.143048D+01  0.459138D+02
      6  -0.176960D+01  0.279226D+01 -0.850306D+00  0.262197D-01 -0.135597D+00
                71            72            73            74            75 
      1  -0.831857D+01  0.454435D+02  0.373846D+02  0.353890D+02 -0.264217D+01
      2   0.230701D+01 -0.133785D+02 -0.299250D+02 -0.155422D+02 -0.414884D+01
      3   0.601156D+01 -0.320649D+02 -0.745957D+01 -0.198469D+02  0.679101D+01
      4   0.171376D+02 -0.864712D+00  0.314070D+02 -0.188554D+02  0.126487D+02
      5  -0.117683D-01 -0.489774D+02 -0.454681D+01  0.128350D+02 -0.244206D+02
      6   0.574015D+01  0.104216D+00  0.755284D+01 -0.443623D+01  0.118773D+02
                76            77            78            79            80 
      1   0.430984D+02 -0.173736D+02  0.663098D+01 -0.553353D+01  0.861896D+01
      2  -0.188157D+02  0.120061D+02  0.336799D+01 -0.629722D+01  0.323952D+01
      3  -0.242827D+02  0.536751D+01 -0.999897D+01  0.118307D+02 -0.118585D+02
      4  -0.247685D+02 -0.859484D+01 -0.226465D+02  0.148137D+02 -0.298601D+02
      5   0.153955D+02 -0.212749D+02  0.970115D+01 -0.365636D+02  0.162850D+02
      6  -0.807293D+01  0.124654D+02 -0.363698D+01  0.138562D+02 -0.773161D+01
                81            82            83            84            85 
      1  -0.274624D+02  0.170720D+02  0.414524D+02  0.149262D+01  0.607614D+02
      2   0.166125D+02 -0.305013D+01 -0.239005D+02  0.255241D+01 -0.364086D+02
      3   0.108500D+02 -0.140219D+02 -0.175520D+02 -0.404503D+01 -0.243528D+02
      4   0.230286D+02  0.448473D+02 -0.694400D+01  0.194458D+02 -0.223855D+02
      5   0.393652D+02 -0.244616D+01  0.212225D+02 -0.404712D+02  0.279952D+02
      6  -0.119409D+02  0.600816D+01 -0.852722D+00 -0.947118D+00 -0.565348D+01
                86            87            88            89            90 
      1  -0.895234D+01  0.275809D+02 -0.446184D+01  0.236245D+02 -0.555803D+02
      2  -0.319681D-01 -0.191993D+02  0.503449D+01 -0.169009D+02  0.279047D+02
      3   0.898430D+01 -0.838164D+01 -0.572652D+00 -0.672363D+01  0.276756D+02
      4  -0.501859D+02 -0.358888D+02  0.215052D+02 -0.331110D+02 -0.346985D+01
      5  -0.385431D+02  0.319345D+01 -0.621628D+02 -0.202067D+01  0.346889D+02
      6  -0.122467D+02 -0.719682D+01 -0.227154D+01 -0.742565D+01  0.528647D+01
                91            92            93            94            95 
      1   0.360307D+01  0.159996D+02 -0.724530D+01  0.269949D+02 -0.138336D+02
      2  -0.157997D+01 -0.119187D+02  0.493343D+01 -0.166667D+02  0.481067D+01
      3  -0.202310D+01 -0.408085D+01  0.231188D+01 -0.103282D+02  0.902289D+01
      4   0.114432D+02 -0.834155D+01  0.657958D+00 -0.392870D+02 -0.841900D+00
      5  -0.580527D+01  0.684642D+00 -0.490648D+01  0.799356D+01  0.463444D+01
      6   0.312829D+00  0.111618D+01 -0.582269D+01  0.522958D+01  0.645770D+01
                96            97            98            99           100 
      1  -0.146851D+01 -0.170497D+01 -0.247179D+01  0.163561D+01 -0.567002D+01
      2   0.301569D+01  0.721769D+01  0.102833D+02 -0.218248D+01  0.597224D+01
      3  -0.154718D+01 -0.551272D+01 -0.781151D+01  0.546871D+00 -0.302220D+00
      4   0.475911D+01  0.104571D+02  0.129903D+02 -0.221984D+02  0.442202D+01
      5  -0.184148D+02 -0.123702D+02 -0.213813D+02 -0.238759D+02  0.131858D+02
      6  -0.903540D+01 -0.120857D+02 -0.113933D+02 -0.845655D+01 -0.423497D+00
               101           102           103           104           105 
      1  -0.455657D+01  0.835559D+01  0.755826D+01  0.173216D+02 -0.183064D+01
      2   0.347663D+01 -0.630101D+01 -0.103703D+02 -0.569815D+01  0.210630D+01
      3   0.107994D+01 -0.205458D+01  0.281205D+01 -0.116235D+02 -0.275656D+00
      4   0.782712D+01 -0.479807D+00  0.180076D+02 -0.930705D+01 -0.231658D+01
      5  -0.140854D+00 -0.169269D+02  0.139532D-01 -0.211960D+01  0.330127D+02
      6  -0.239556D+00  0.919389D+01 -0.254840D+01  0.297004D+01 -0.746537D+01
               106           107           108           109           110 
      1   0.320873D+02 -0.126595D+02 -0.168005D+02  0.447346D+02 -0.955786D+01
      2  -0.129397D+02  0.197702D+00  0.152408D+02 -0.258158D+02  0.415863D+01
      3  -0.191476D+02  0.124618D+02  0.155971D+01 -0.189188D+02  0.539923D+01
      4  -0.214755D+02  0.199016D+02  0.205752D+02 -0.154423D+02  0.124468D+02
      5  -0.373830D+02  0.210517D+02  0.269118D+02 -0.374887D+02  0.245381D+01
      6   0.121705D+02 -0.143439D+02 -0.451380D+01  0.720195D+01 -0.319479D+01
               111           112           113           114           115 
      1  -0.269059D+02 -0.132331D+02  0.110829D+01 -0.789157D+00 -0.517395D+02
      2   0.182641D+02  0.389792D+01  0.430436D+01 -0.673711D+00  0.289544D+02
      3   0.864185D+01  0.933521D+01 -0.541264D+01  0.146287D+01  0.227851D+02
      4   0.492753D+01  0.190104D+02 -0.164081D+02 -0.167547D+02  0.230880D+02
      5   0.310925D+02  0.871380D+01 -0.174711D+02 -0.214707D+02  0.474016D+02
      6  -0.588858D+01 -0.370958D+01  0.866241D+01  0.146411D+02 -0.825090D+01
               116           117           118           119           120 
      1   0.814240D+01  0.131621D+02  0.375573D+01  0.865479D+01  0.154932D+02
      2  -0.206166D+01 -0.239509D+02 -0.111468D+02  0.401410D+01 -0.110599D+02
      3  -0.608074D+01  0.107888D+02  0.739106D+01 -0.126689D+02 -0.443323D+01
      4  -0.321257D+02 -0.137173D+02  0.171846D+02 -0.238536D+02 -0.407511D+00
      5  -0.138095D+02 -0.758138D+02  0.144878D+02  0.313013D+01  0.107271D+02
      6   0.157872D+02  0.194992D+02 -0.915184D+00 -0.156341D+01 -0.153370D+01
               121           122           123           124           125 
      1   0.197924D+02 -0.301716D+02  0.782824D+01  0.270064D+02  0.248724D+01
      2   0.784371D+00  0.849199D+01 -0.480868D+01 -0.165109D+02 -0.316151D+01
      3  -0.205768D+02  0.216796D+02 -0.301956D+01 -0.104954D+02  0.674263D+00
      4  -0.291274D+02  0.333069D+02  0.705322D+01 -0.139073D+02  0.172275D+02
      5   0.687761D+00  0.672396D+01 -0.637754D+01  0.324835D+02 -0.185690D+02
      6  -0.106495D+01 -0.539672D+01  0.917445D+01 -0.836661D+01  0.154006D+02
               126           127           128           129           130 
      1   0.508716D+01  0.661229D+00 -0.309086D+01 -0.220550D+01 -0.467714D+00
      2  -0.142626D+02 -0.106033D+01  0.277651D+01 -0.706686D-02 -0.112600D+00
      3   0.917545D+01  0.399098D+00  0.314345D+00  0.221257D+01  0.580314D+00
      4  -0.157867D+02  0.423659D+01  0.455969D+01  0.437251D+01  0.428993D+01
      5   0.445412D+02  0.760543D+01  0.472949D+01  0.845585D+01  0.623939D+01
      6  -0.156452D+02  0.516841D+01  0.459171D+01  0.602761D+01  0.485381D+01
               131           132           133           134           135 
      1  -0.780993D+01 -0.853585D+01 -0.298944D+01 -0.115203D+02 -0.194669D+02
      2   0.492449D+01  0.119773D+01 -0.142108D+01  0.524128D+01 -0.228718D+00
      3   0.288544D+01  0.733812D+01  0.441051D+01  0.627905D+01  0.196956D+02
      4   0.532362D+01  0.403412D+01  0.439605D+01  0.444457D+01  0.479348D+01
      5   0.562783D+01  0.822543D+01  0.985436D+01  0.643152D+01  0.142423D+02
      6   0.906234D+01  0.102735D+02  0.642870D+01  0.128404D+02  0.173377D+02
               136           137           138           139           140 
      1   0.442682D+01  0.464307D-01  0.235323D+01  0.118286D+01 -0.234634D+01
      2  -0.541472D+01  0.398973D+00  0.345884D+01  0.784937D+00  0.582390D+00
      3   0.987893D+00 -0.445404D+00 -0.581207D+01 -0.196779D+01  0.176395D+01
      4  -0.444789D+01  0.326096D+01  0.245654D+01  0.263172D+01 -0.169632D+01
      5  -0.940442D+01  0.137302D+01  0.896244D+01  0.253298D+01 -0.230652D+01
      6   0.842127D+00 -0.216685D+01 -0.119193D+01 -0.186710D+01  0.246494D+01
               141           142           143           144           145 
      1  -0.461662D+01  0.327733D+01 -0.375033D+01 -0.144433D+02 -0.264247D+01
      2  -0.740148D+00  0.393311D+01  0.730223D+00 -0.684598D+01 -0.236043D+01
      3   0.535677D+01 -0.721044D+01  0.302011D+01  0.212892D+02  0.500290D+01
      4  -0.225278D+01  0.463615D+01 -0.486504D+01 -0.601876D+01  0.460012D+01
      5  -0.244541D+01  0.114036D+02 -0.293010D+01 -0.151432D+02  0.101007D+02
      6   0.372082D+01 -0.335579D+01  0.590597D+01  0.677599D+01  0.592486D+01
               146           147           148           149           150 
      1  -0.354140D+01 -0.542285D+01 -0.360850D+01 -0.797750D+01 -0.123850D+02
      2   0.104096D+01 -0.209173D+01 -0.122893D+01  0.206365D+01 -0.150527D+01
      3   0.250045D+01  0.751457D+01  0.483743D+01  0.591384D+01  0.138902D+02
      4   0.442778D+01  0.403295D+01  0.320133D+01  0.367644D+01  0.332174D+01
      5   0.571371D+01  0.117672D+02  0.677074D+01  0.545617D+01  0.950355D+01
      6   0.538535D+01  0.677737D+01  0.449506D+01  0.863595D+01  0.106875D+02
               151           152           153           154           155 
      1  -0.722628D+01 -0.125545D+02 -0.264680D+02  0.654730D+00 -0.550261D+00
      2  -0.266263D+01  0.159927D+01 -0.705969D+01 -0.850921D+01  0.963912D+00
      3   0.988890D+01  0.109553D+02  0.335277D+02  0.785448D+01 -0.413651D+00
      4   0.401309D+01  0.399852D+01  0.387969D+01 -0.366219D+01  0.328107D+01
      5   0.113910D+02  0.694147D+01  0.175838D+02 -0.157264D+02  0.194047D+01
      6   0.694193D+01  0.134043D+02  0.190375D+02  0.601595D+00 -0.288277D+01
               156           157           158           159           160 
      1   0.500766D+01  0.378753D+01 -0.252615D+01 -0.621076D+01  0.334414D+01
      2   0.870564D+01 -0.212719D+00 -0.122028D+00 -0.236689D+01  0.947693D+01
      3  -0.137133D+02 -0.357481D+01  0.264818D+01  0.857765D+01 -0.128211D+02
      4   0.295322D+01  0.122962D+01 -0.127268D+01 -0.286927D+01  0.487544D+01
      5   0.168966D+02  0.203340D+01 -0.289079D+01 -0.360701D+01  0.173765D+02
      6  -0.130192D+00 -0.184225D+01  0.234445D+01  0.386490D+01 -0.302828D+01
               161           162           163           164           165 
      1  -0.325867D+01 -0.210892D+02  0.148147D+02 -0.557397D+00 -0.711475D+01
      2  -0.954872D+00 -0.154381D+02 -0.110797D+02  0.617377D+00  0.609592D+01
      3   0.421354D+01  0.365272D+02 -0.373496D+01 -0.599800D-01  0.101884D+01
      4  -0.451045D+01 -0.595450D+01  0.343638D+01  0.746416D+01 -0.606190D+01
      5  -0.391191D+01 -0.251179D+02 -0.153136D+02 -0.543335D+01  0.183017D+02
      6   0.638078D+01  0.579494D+01 -0.345323D+01 -0.256612D+01  0.393208D+01
               166           167           168           169           170 
      1  -0.887050D+01 -0.152572D+01  0.103742D+01 -0.164937D+02  0.142079D+01
      2   0.488514D+01  0.214895D+01 -0.683307D+00  0.128897D+02  0.136216D+00
      3   0.398535D+01 -0.623233D+00 -0.354116D+00  0.360401D+01 -0.155700D+01
      4   0.523569D+01  0.581136D+01 -0.468890D+01 -0.850973D+01 -0.100274D+02
      5  -0.135027D+01 -0.508994D+01  0.202143D+00  0.215799D+02  0.109884D+02
      6  -0.198591D+01 -0.191204D+01  0.522581D+01  0.656277D+01  0.803152D+01
               171           172           173           174           175 
      1  -0.482719D+01  0.813274D+01  0.620422D+01  0.354832D+01  0.100340D+02
      2  -0.111100D+02  0.253531D+00 -0.124051D+01 -0.117769D+01  0.428220D+01
      3   0.159372D+02 -0.838627D+01 -0.496371D+01 -0.237063D+01 -0.143162D+02
      4   0.108756D+02  0.934327D+01  0.130426D+02  0.524136D+00  0.248216D+02
      5  -0.426715D+02  0.429876D+01 -0.917409D-01  0.398838D+01  0.167191D+01
      6  -0.142518D+02  0.150994D+01  0.749909D-04  0.651241D+00  0.124519D+01
               176           177           178           179           180 
      1  -0.168981D+02 -0.144290D+01  0.178808D+02 -0.360825D+01 -0.185561D+00
      2   0.377902D+02  0.402814D+01 -0.453782D+01  0.827239D+01  0.155041D+01
      3  -0.208922D+02 -0.258524D+01 -0.133430D+02 -0.466414D+01 -0.136485D+01
      4   0.527807D+02  0.603267D+01  0.765428D+01  0.161633D+02  0.794516D+01
      5   0.540866D+01  0.621300D+01  0.889159D+01  0.766957D+01  0.224542D+01
      6   0.287271D+01  0.587318D+01  0.314770D+01  0.716807D+01  0.280565D+01
               181           182           183           184           185 
      1  -0.131576D+02  0.484772D+01  0.128749D+02  0.104376D+02 -0.730490D+01
      2   0.242833D+01 -0.212750D+01 -0.212725D+01 -0.509925D+01  0.325872D+01
      3   0.107293D+02 -0.272022D+01 -0.107477D+02 -0.533839D+01  0.404619D+01
      4   0.575300D+01 -0.240959D+01  0.163750D+01  0.115225D+01 -0.474684D+01
      5   0.624013D+01  0.147039D+01 -0.566352D+01  0.129053D+01  0.320122D+01
      6  -0.386837D+00 -0.533796D+00  0.348215D+00 -0.136862D+01 -0.336699D-02
               186           187           188           189           190 
      1   0.230043D+01  0.242923D+02  0.338330D+01 -0.282502D+02  0.122927D+02
      2  -0.103436D+01 -0.919413D+01 -0.203555D+01 -0.720737D+01 -0.645297D+01
      3  -0.126608D+01 -0.150981D+02 -0.134775D+01  0.354575D+02 -0.583977D+01
      4   0.349075D+01  0.251905D+01  0.770395D+01  0.353975D-01 -0.110622D+02
      5  -0.785868D+00 -0.164514D+01  0.395989D+00  0.462106D+02 -0.148999D+02
      6   0.705973D+01  0.170524D+00  0.406984D+01 -0.120034D+01  0.360656D+01
               191           192           193           194           195 
      1  -0.562831D+01 -0.110180D+02 -0.806871D+00  0.133914D+01 -0.239522D+01
      2   0.964403D+00  0.814661D+01 -0.112511D+01  0.100535D+00  0.249283D+01
      3   0.466390D+01  0.287137D+01  0.193198D+01 -0.143968D+01 -0.976029D-01
      4   0.114589D+02  0.587904D+01  0.705206D+01 -0.415094D+01 -0.495675D+01
      5   0.357334D+01  0.201574D+02 -0.712615D+00 -0.494012D+01 -0.170602D+01
      6  -0.170241D+01 -0.666819D+01 -0.154172D+01  0.153747D+01  0.611830D+01
               196           197           198           199           200 
      1  -0.202147D+02 -0.127744D+01  0.776128D+01  0.311874D+02 -0.188358D+02
      2   0.130079D+02  0.344867D+01 -0.140849D+02 -0.762354D+01 -0.265615D+00
      3   0.720676D+01 -0.217123D+01  0.632367D+01 -0.235639D+02  0.191014D+02
      4   0.118970D+02 -0.167903D+02 -0.180483D+02 -0.377975D+02  0.361139D+02
      5   0.249313D+02 -0.140739D+02 -0.540641D+02  0.150833D+02 -0.103177D+02
      6  -0.873486D+01  0.908262D+01  0.202932D+02 -0.748153D+01  0.675660D+01
               201           202           203           204           205 
      1   0.101639D+02 -0.193668D+02  0.924322D+01 -0.369443D+01  0.196024D+02
      2  -0.253974D+01  0.445752D-01  0.119830D+02 -0.326330D+01 -0.612272D+01
      3  -0.762420D+01  0.193222D+02 -0.212262D+02  0.695772D+01 -0.134797D+02
      4  -0.129374D+02  0.360590D+02 -0.444606D+02  0.175236D+02 -0.236927D+02
      5   0.157928D+02 -0.112275D+02  0.155267D+02 -0.125857D+02  0.201700D+02
      6  -0.780225D+01  0.749262D+01 -0.109681D+02  0.908967D+01 -0.976357D+01
               206           207           208           209           210 
      1  -0.588369D+01  0.888620D+01 -0.548089D+02 -0.238052D+02 -0.122495D+01
      2  -0.472315D+01 -0.395555D+01  0.318250D+02  0.211874D+02  0.101608D+01
      3   0.106068D+02 -0.493065D+01  0.229839D+02  0.261786D+01  0.208874D+00
      4   0.304063D+02 -0.192106D+02  0.533293D+01 -0.111425D+02 -0.166463D+01
      5  -0.162719D+02  0.159622D+02 -0.171572D+01 -0.243973D+01 -0.203170D+01
      6   0.114305D+02 -0.981101D+01 -0.154812D+01 -0.528722D+00  0.292303D+01
               211           212           213           214           215 
      1  -0.194342D+02 -0.182359D+02 -0.110592D+01 -0.198588D+01  0.626851D-01
      2   0.154528D+02  0.177314D+02  0.569165D-02  0.185666D+01 -0.371200D+00
      3   0.398145D+01  0.504506D+00  0.110023D+01  0.129224D+00  0.308514D+00
      4   0.575632D+00 -0.676527D+01  0.166837D+01 -0.412026D+00  0.301569D+01
      5  -0.126088D+01  0.103081D+01 -0.262888D+01  0.307304D+01 -0.407477D+01
      6   0.864168D+00 -0.529651D+00  0.355560D+01  0.100553D+01  0.423117D+01
               216           217           218           219           220 
      1  -0.308101D+01  0.402536D+02  0.150300D+01 -0.216623D+02 -0.435700D+01
      2   0.128352D+01 -0.215821D+02  0.142816D+00  0.103161D+02  0.366982D+01
      3   0.179749D+01 -0.186715D+02 -0.164581D+01  0.113463D+02  0.687183D+00
      4  -0.422083D+01  0.347578D+01  0.869797D+01 -0.543966D+01  0.123858D+02
      5  -0.406281D+01 -0.210940D+02 -0.472672D+01  0.262463D+02 -0.366350D+01
      6   0.107283D+01 -0.288028D+01 -0.356733D+00  0.280853D+01 -0.119650D+01
               221           222           223           224           225 
      1   0.717662D+01 -0.369799D+01 -0.570201D+02 -0.946224D+01  0.332168D+02
      2  -0.229745D+01  0.162443D+01  0.296270D+02  0.393533D+01 -0.207746D+02
      3  -0.487917D+01  0.207355D+01  0.273930D+02  0.552691D+01 -0.124422D+02
      4   0.858974D+01 -0.474405D+01 -0.128055D+02 -0.152219D+02  0.748053D+01
      5  -0.414280D+01  0.200243D+01  0.415275D+02  0.714983D+01 -0.605266D+02
      6   0.337927D+00  0.406065D+01  0.388151D+01  0.425640D+01 -0.729923D+01
               226           227           228           229           230 
      1   0.374382D+01  0.869235D+01  0.452479D+01  0.260416D+02  0.562973D+01
      2  -0.378901D+00 -0.341853D+01 -0.213110D+01 -0.928522D+01  0.130864D+02
      3  -0.336492D+01 -0.527383D+01 -0.239369D+01 -0.167564D+02 -0.187161D+02
      4   0.776041D+01  0.965558D+01  0.194239D+01  0.333063D+02  0.802857D+02
      5   0.438886D+01  0.222190D+01  0.629972D+01  0.108928D+02  0.270832D+02
      6   0.226358D+01  0.838205D+00  0.261066D+00  0.595481D+01  0.168837D+02
               231           232           233           234           235 
      1  -0.417905D+00  0.119600D+02 -0.160382D+01  0.657126D+01  0.801400D+02
      2   0.161967D+01 -0.649702D+01  0.283865D+01 -0.476176D+01 -0.456347D+02
      3  -0.120177D+01 -0.546297D+01 -0.123483D+01 -0.180950D+01 -0.345054D+02
      4   0.258458D+02  0.858906D+01  0.274964D+02  0.164463D+02 -0.216836D+02
      5   0.213516D+02  0.169759D+02  0.171157D+02  0.142042D+02  0.370576D+02
      6   0.111347D+02  0.354221D+01  0.108301D+02  0.710327D+01 -0.309533D+01
               236           237           238           239           240 
      1  -0.218893D+02  0.282062D+02 -0.567063D+02  0.178470D+02 -0.180412D+02
      2   0.129077D+02 -0.187726D+02  0.317759D+02 -0.865881D+01  0.130982D+02
      3   0.898156D+01 -0.943366D+01  0.249305D+02 -0.918816D+01  0.494299D+01
      4   0.184490D+02 -0.105371D+02  0.259320D+02 -0.198755D+02  0.162773D+02
      5  -0.123429D+02  0.301890D+02 -0.263959D+02  0.170533D+02 -0.213758D+02
      6   0.211484D+01 -0.409187D+00  0.458931D+01 -0.366385D+01  0.422278D+01
               241           242           243           244           245 
      1   0.479473D+02 -0.111184D+02  0.293160D+02  0.291201D+01  0.431682D+00
      2  -0.308862D+02  0.867496D+01 -0.228416D+02 -0.348546D+01  0.124355D+00
      3  -0.170612D+02  0.244349D+01 -0.647447D+01  0.573454D+00 -0.556037D+00
      4  -0.129301D+02  0.189501D+02 -0.103704D+02  0.489893D+01  0.748601D+01
      5   0.438162D+02 -0.114891D+02  0.318782D+02  0.126621D+02  0.390262D+01
      6  -0.187466D+01  0.500267D+01 -0.300334D+01  0.565054D+01  0.146432D+01
               246           247           248           249           250 
      1   0.766738D+01 -0.545089D+00 -0.960992D+00 -0.128586D+01  0.112393D+02
      2  -0.476177D+01  0.138833D+01  0.323569D+01  0.138986D+01 -0.781544D+01
      3  -0.290561D+01 -0.843244D+00 -0.227470D+01 -0.103999D+00 -0.342384D+01
      4   0.433953D+01  0.110870D+02  0.112098D+02  0.800443D+01  0.651929D+01
      5   0.109256D+02  0.498121D+01  0.833789D+01  0.119289D+02  0.155586D+02
      6   0.317201D+01  0.290057D+01  0.593677D+01  0.926060D+01  0.490833D+01
               251           252           253           254           255 
      1  -0.368858D+01 -0.442915D+01 -0.409446D+02 -0.460063D+02  0.760123D+01
      2   0.195022D+01 -0.677293D+01  0.225084D+01  0.324527D+02  0.172979D+01
      3   0.173836D+01  0.112021D+02  0.386938D+02  0.135536D+02 -0.933102D+01
      4   0.128006D+02  0.125401D+02 -0.577439D+02 -0.948745D+01  0.595414D+01
      5   0.121202D+02  0.348505D+02  0.125129D+02  0.957674D+01  0.620837D+01
      6   0.865432D+01  0.156252D+02  0.579165D+01  0.355352D+00  0.335971D+01
               256           257           258           259           260 
      1  -0.357540D+02  0.134245D+02  0.123470D+02 -0.279515D+01  0.138558D+02
      2   0.283990D+02 -0.176045D+02 -0.459182D+01  0.297728D+01 -0.116042D+02
      3   0.735498D+01  0.417998D+01 -0.775523D+01 -0.182127D+00 -0.225166D+01
      4   0.408261D+01  0.484015D+01 -0.835927D+01 -0.376650D+01 -0.143086D+02
      5   0.266229D+01 -0.133786D+02  0.143050D+02  0.136385D+02  0.138537D+02
      6  -0.583324D+01 -0.869514D+01  0.125540D+02  0.100283D+02  0.147547D+02
               261           262           263           264           265 
      1   0.921983D+01  0.335559D+02 -0.233438D+02  0.608907D+01 -0.276978D+02
      2   0.131885D+02 -0.915901D+01  0.405774D+01 -0.227322D+01  0.220662D+01
      3  -0.224083D+02 -0.243969D+02  0.192860D+02 -0.381585D+01  0.254912D+02
      4   0.188952D+02 -0.356000D+02  0.338320D+02 -0.735019D+01  0.462860D+02
      5   0.149891D+02  0.123832D+02 -0.858149D+01  0.946184D+01 -0.121193D+02
      6   0.453653D+01 -0.451997D+01  0.437621D+01 -0.250687D+01  0.561474D+01
               266           267           268           269           270 
      1   0.206506D+02 -0.446268D+01 -0.737048D+01  0.663951D+01  0.122113D+01
      2   0.819767D+01  0.724610D+00 -0.477887D+00  0.150153D+01 -0.360077D+00
      3  -0.288482D+02  0.373807D+01  0.784836D+01 -0.814104D+01 -0.861049D+00
      4  -0.593566D+02  0.116638D+02  0.102371D+02 -0.112666D+02 -0.424402D+01
      5   0.137023D+02 -0.129207D+02  0.439225D+01 -0.394254D+01  0.356348D+01
      6  -0.854065D+01  0.557755D+01 -0.211835D+01  0.318751D+01 -0.128228D+01
               271           272           273           274           275 
      1  -0.118613D+02  0.264810D+02 -0.192404D+01  0.178844D+02 -0.362927D+02
      2   0.139515D+02 -0.297419D+02 -0.420039D-01 -0.159841D+02  0.508726D+02
      3  -0.209023D+01  0.326089D+01  0.196605D+01 -0.190026D+01 -0.145798D+02
      4   0.186316D+01 -0.623820D+01  0.126482D+01  0.490041D+01  0.220464D+02
      5   0.272310D+01 -0.244056D+01 -0.343387D+01 -0.399885D+01  0.383454D+01
      6  -0.101991D+01  0.424537D+01 -0.513808D+01  0.121771D+01 -0.629651D+01
               276           277           278           279           280 
      1   0.393889D+00  0.384991D+01 -0.596411D+01 -0.611597D+01  0.122932D+01
      2   0.413636D+00 -0.256119D+01  0.912604D+01  0.390149D+01 -0.205874D+01
      3  -0.807525D+00 -0.128873D+01 -0.316193D+01  0.221447D+01  0.829423D+00
      4  -0.415750D+00  0.175768D+01  0.722507D+01 -0.615889D+00  0.275159D+01
      5   0.302574D+01 -0.126169D+01  0.179621D+01  0.525837D+00 -0.349610D+01
      6   0.619380D+01 -0.267660D+01  0.473037D+01  0.885839D+00 -0.159391D+01
               281           282           283           284           285 
      1   0.484034D+01 -0.749073D+01 -0.122386D+01 -0.283037D+01 -0.311008D+01
      2  -0.447901D+01  0.805388D+00 -0.988440D+00 -0.271328D+00 -0.324350D+01
      3  -0.361330D+00  0.668534D+01  0.221230D+01  0.310170D+01  0.635358D+01
      4   0.229295D+00 -0.215328D+01 -0.169544D+01 -0.612616D+01 -0.128112D+01
      5  -0.382114D+00 -0.952327D+00  0.133475D+01 -0.292963D+00 -0.749441D+01
      6   0.156414D+01 -0.295411D+01  0.118718D+01  0.178237D+01 -0.106568D+01
               286           287           288           289           290 
      1  -0.940611D+01  0.213250D+01 -0.183345D+02  0.768523D+02  0.245299D+02
      2   0.356858D+01 -0.591862D+01 -0.144181D+02 -0.239053D+02  0.104683D+00
      3   0.583754D+01  0.378611D+01  0.327527D+02 -0.529470D+02 -0.246346D+02
      4  -0.679416D+01 -0.954014D+01 -0.243928D+01  0.677598D+02  0.411487D+02
      5   0.613231D+01  0.892658D+00 -0.329147D+02 -0.215622D+02 -0.103906D+02
      6   0.687362D+00  0.524220D+01 -0.197275D+02 -0.865646D+01 -0.713081D+01
               291           292           293           294           295 
      1  -0.542528D+01  0.175557D+02  0.848913D+01 -0.180634D+01  0.953065D+00
      2   0.240540D+01  0.196523D+00  0.682430D+01  0.198541D+00  0.971655D+00
      3   0.301988D+01 -0.177522D+02 -0.153134D+02  0.160779D+01 -0.192472D+01
      4  -0.937751D+01  0.310550D+02  0.248845D+02 -0.363035D+01 -0.245884D+00
      5   0.140842D+02 -0.672327D+01 -0.359669D+01  0.375075D+01  0.112536D+02
      6   0.785666D+01 -0.434874D+01 -0.408880D+01  0.310716D+01  0.559673D+01
               296           297 
      1  -0.110764D+01  0.503003D+01
      2   0.186747D+01 -0.406325D+01
      3  -0.759824D+00 -0.966783D+00
      4   0.130325D+01  0.551220D+01
      5   0.434522D+01 -0.473409D+01
      6   0.312964D+01 -0.239918D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 22:24:24 2021, MaxMem=  6442450944 cpu:           99109.3 elap:           12405.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94220 -18.88749 -10.14063 -10.03568 -10.02745
 Alpha  occ. eigenvalues --  -10.02137 -10.01540 -10.01478 -10.01304 -10.01237
 Alpha  occ. eigenvalues --  -10.01233 -10.00683 -10.00400  -9.99549  -9.99167
 Alpha  occ. eigenvalues --   -1.16168  -1.07253  -0.93280  -0.88888  -0.86427
 Alpha  occ. eigenvalues --   -0.81416  -0.81113  -0.75311  -0.74991  -0.73899
 Alpha  occ. eigenvalues --   -0.68497  -0.67363  -0.64258  -0.63124  -0.58819
 Alpha  occ. eigenvalues --   -0.58168  -0.55714  -0.54470  -0.53927  -0.52310
 Alpha  occ. eigenvalues --   -0.51797  -0.51542  -0.49857  -0.48968  -0.48799
 Alpha  occ. eigenvalues --   -0.48388  -0.46058  -0.45321  -0.44799  -0.44209
 Alpha  occ. eigenvalues --   -0.43889  -0.42836  -0.41681  -0.40698  -0.40235
 Alpha  occ. eigenvalues --   -0.40128  -0.39371  -0.38910  -0.35377  -0.33617
 Alpha  occ. eigenvalues --   -0.31712
 Alpha virt. eigenvalues --    0.02622   0.03067   0.03145   0.03704   0.03870
 Alpha virt. eigenvalues --    0.04043   0.04484   0.04700   0.05161   0.05801
 Alpha virt. eigenvalues --    0.06268   0.06432   0.06823   0.07013   0.07083
 Alpha virt. eigenvalues --    0.07702   0.08685   0.08817   0.09304   0.09748
 Alpha virt. eigenvalues --    0.10253   0.10796   0.11094   0.11764   0.12077
 Alpha virt. eigenvalues --    0.12469   0.12697   0.12975   0.13183   0.13468
 Alpha virt. eigenvalues --    0.13663   0.14324   0.14482   0.14850   0.14954
 Alpha virt. eigenvalues --    0.15461   0.15595   0.15726   0.16235   0.16734
 Alpha virt. eigenvalues --    0.17064   0.17290   0.17521   0.17898   0.18149
 Alpha virt. eigenvalues --    0.18463   0.18812   0.19116   0.19651   0.19760
 Alpha virt. eigenvalues --    0.20275   0.20549   0.21017   0.21138   0.21487
 Alpha virt. eigenvalues --    0.21955   0.22507   0.22953   0.23130   0.23395
 Alpha virt. eigenvalues --    0.24041   0.24378   0.24531   0.25226   0.25413
 Alpha virt. eigenvalues --    0.25722   0.26115   0.26453   0.26806   0.27359
 Alpha virt. eigenvalues --    0.27972   0.28022   0.28184   0.28363   0.28754
 Alpha virt. eigenvalues --    0.28998   0.29395   0.29764   0.29967   0.30317
 Alpha virt. eigenvalues --    0.30637   0.31160   0.31331   0.31647   0.32007
 Alpha virt. eigenvalues --    0.32531   0.32760   0.33391   0.33844   0.33939
 Alpha virt. eigenvalues --    0.34311   0.34948   0.35862   0.35922   0.36181
 Alpha virt. eigenvalues --    0.36597   0.36881   0.37472   0.38203   0.38694
 Alpha virt. eigenvalues --    0.39158   0.39586   0.39860   0.40443   0.40700
 Alpha virt. eigenvalues --    0.40957   0.41166   0.41257   0.41799   0.42377
 Alpha virt. eigenvalues --    0.42851   0.43001   0.43627   0.43727   0.43919
 Alpha virt. eigenvalues --    0.44094   0.44332   0.45232   0.45576   0.45810
 Alpha virt. eigenvalues --    0.46308   0.47078   0.47370   0.47856   0.47947
 Alpha virt. eigenvalues --    0.48374   0.49336   0.49526   0.50071   0.50606
 Alpha virt. eigenvalues --    0.50981   0.51301   0.51503   0.52003   0.52659
 Alpha virt. eigenvalues --    0.52893   0.53447   0.54332   0.54847   0.55375
 Alpha virt. eigenvalues --    0.55613   0.56128   0.56499   0.56789   0.57675
 Alpha virt. eigenvalues --    0.57856   0.58203   0.58494   0.59379   0.59579
 Alpha virt. eigenvalues --    0.59976   0.60407   0.60640   0.61238   0.61616
 Alpha virt. eigenvalues --    0.62034   0.62426   0.63048   0.63423   0.63514
 Alpha virt. eigenvalues --    0.63778   0.64298   0.65154   0.65433   0.65530
 Alpha virt. eigenvalues --    0.66152   0.66499   0.66710   0.67683   0.68149
 Alpha virt. eigenvalues --    0.68523   0.68822   0.69072   0.69271   0.70201
 Alpha virt. eigenvalues --    0.70541   0.70904   0.71136   0.71408   0.72310
 Alpha virt. eigenvalues --    0.73008   0.73131   0.73391   0.73773   0.74112
 Alpha virt. eigenvalues --    0.74165   0.74937   0.75555   0.75929   0.76147
 Alpha virt. eigenvalues --    0.77044   0.77261   0.77417   0.78247   0.78889
 Alpha virt. eigenvalues --    0.79567   0.80201   0.80506   0.80707   0.81060
 Alpha virt. eigenvalues --    0.82019   0.82162   0.83075   0.83315   0.83633
 Alpha virt. eigenvalues --    0.83924   0.84610   0.85239   0.85633   0.86363
 Alpha virt. eigenvalues --    0.86796   0.87340   0.87614   0.88519   0.88798
 Alpha virt. eigenvalues --    0.89126   0.89497   0.90215   0.91256   0.91560
 Alpha virt. eigenvalues --    0.92376   0.92798   0.93406   0.94137   0.94617
 Alpha virt. eigenvalues --    0.95835   0.96846   0.97595   0.98165   0.98623
 Alpha virt. eigenvalues --    0.99368   0.99631   1.00443   1.01710   1.03516
 Alpha virt. eigenvalues --    1.04345   1.04675   1.04713   1.06061   1.06417
 Alpha virt. eigenvalues --    1.07164   1.08460   1.09150   1.10173   1.11034
 Alpha virt. eigenvalues --    1.12260   1.12856   1.13682   1.14224   1.14981
 Alpha virt. eigenvalues --    1.15835   1.16878   1.17219   1.18449   1.19673
 Alpha virt. eigenvalues --    1.20198   1.21414   1.22562   1.22875   1.23588
 Alpha virt. eigenvalues --    1.24673   1.25506   1.26405   1.27303   1.28336
 Alpha virt. eigenvalues --    1.29227   1.30707   1.31822   1.33402   1.35675
 Alpha virt. eigenvalues --    1.37525   1.38854   1.38903   1.40354   1.40836
 Alpha virt. eigenvalues --    1.41756   1.43417   1.44161   1.44540   1.45131
 Alpha virt. eigenvalues --    1.45621   1.47580   1.49810   1.50307   1.51603
 Alpha virt. eigenvalues --    1.51890   1.52518   1.53119   1.53438   1.54325
 Alpha virt. eigenvalues --    1.55394   1.55805   1.56645   1.58000   1.58777
 Alpha virt. eigenvalues --    1.59186   1.61010   1.61698   1.61870   1.63316
 Alpha virt. eigenvalues --    1.63879   1.64329   1.64699   1.66071   1.67760
 Alpha virt. eigenvalues --    1.68576   1.69224   1.69449   1.70888   1.71157
 Alpha virt. eigenvalues --    1.71916   1.72495   1.73853   1.74321   1.75417
 Alpha virt. eigenvalues --    1.76123   1.76716   1.77304   1.77579   1.77692
 Alpha virt. eigenvalues --    1.78737   1.80031   1.80326   1.81882   1.82887
 Alpha virt. eigenvalues --    1.83203   1.84206   1.85250   1.86748   1.87867
 Alpha virt. eigenvalues --    1.89033   1.89780   1.89974   1.90676   1.91884
 Alpha virt. eigenvalues --    1.92753   1.93198   1.94045   1.94919   1.95625
 Alpha virt. eigenvalues --    1.96075   1.96852   1.97255   1.97419   1.98445
 Alpha virt. eigenvalues --    1.99925   2.00499   2.02124   2.02853   2.03508
 Alpha virt. eigenvalues --    2.03786   2.04602   2.05712   2.07860   2.08206
 Alpha virt. eigenvalues --    2.08863   2.09720   2.11028   2.11576   2.12026
 Alpha virt. eigenvalues --    2.12575   2.13846   2.15612   2.15961   2.16279
 Alpha virt. eigenvalues --    2.17599   2.17893   2.18946   2.19525   2.21486
 Alpha virt. eigenvalues --    2.21683   2.22133   2.23473   2.25416   2.26864
 Alpha virt. eigenvalues --    2.27443   2.28247   2.28742   2.30775   2.31475
 Alpha virt. eigenvalues --    2.31838   2.33596   2.34822   2.35043   2.36304
 Alpha virt. eigenvalues --    2.36490   2.38084   2.39080   2.40726   2.41347
 Alpha virt. eigenvalues --    2.43249   2.43987   2.46860   2.47344   2.50514
 Alpha virt. eigenvalues --    2.51791   2.52089   2.52494   2.53595   2.55669
 Alpha virt. eigenvalues --    2.56930   2.58897   2.59652   2.60636   2.62913
 Alpha virt. eigenvalues --    2.64331   2.65091   2.65844   2.66970   2.69272
 Alpha virt. eigenvalues --    2.72441   2.74445   2.75076   2.75943   2.77448
 Alpha virt. eigenvalues --    2.79953   2.80656   2.83559   2.85435   2.86617
 Alpha virt. eigenvalues --    2.88150   2.90762   2.92705   2.93761   2.95128
 Alpha virt. eigenvalues --    2.99901   3.06873   3.10782   3.11680   3.14186
 Alpha virt. eigenvalues --    3.16912   3.22575   3.31049   3.37279   3.38245
 Alpha virt. eigenvalues --    3.40166   3.45593   3.46372   3.47815   3.49192
 Alpha virt. eigenvalues --    3.53997   3.55359   3.63561   3.66089   3.74366
 Alpha virt. eigenvalues --    3.76692   3.86065   3.94001   4.04327   4.83924
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   40.312529 -12.230192 -11.200288   3.620239  -4.261308  -5.494428
     2  C  -12.230192  28.125693   3.619457  -7.815361  -1.764834  -4.517884
     3  C  -11.200288   3.619457  40.289332 -10.621703  -6.403615  -4.637784
     4  C    3.620239  -7.815361 -10.621703  30.782050  -5.390604  -1.973890
     5  C   -4.261308  -1.764834  -6.403615  -5.390604  30.101175  -5.231853
     6  C   -5.494428  -4.517884  -4.637784  -1.973890  -5.231853  28.454971
     7  C   -1.320508  -1.493282  -0.500813  -0.485039  -0.601529   0.018720
     8  C   -0.514097   0.197112  -0.000463  -0.191715   0.012849  -0.236108
     9  C   -0.559326  -0.005256   0.070187  -0.071803   0.151287   0.231259
    10  C   -0.061269  -0.009624   0.024886   0.024303   0.005644  -0.010010
    11  C   -0.114844  -0.305419  -0.785890  -5.407826   0.168714   0.072787
    12  C    0.164470   0.016964  -1.059301   0.844521  -0.142840  -0.186433
    13  O   -0.067755  -0.011324   0.126383  -0.070633   0.014536   0.014199
    14  O   -0.051379   0.009012   0.096562  -0.009992   0.010577   0.023793
    15  H   -4.680988   2.599562   1.649478  -1.471277   0.094613   0.565801
    16  H    1.764011  -1.282288  -5.031448   2.175585   0.520930   0.014382
    17  H   -0.249930   0.065938   0.110604   0.638091  -3.104203   1.409705
    18  H    0.108615   0.690221  -0.218444   0.207113   1.202336  -2.923628
    19  H   -0.806225  -0.644632  -0.094386  -0.016027   0.434114   0.734520
    20  H    0.908338  -0.402794   0.256550   0.208924  -0.267902  -0.415140
    21  H    0.294137  -0.194347   0.011726   0.096455  -0.008187   0.031746
    22  H   -0.071046  -0.089456   0.016364  -0.001630   0.071879   0.148340
    23  H   -0.054639   0.073267  -0.000979  -0.006213   0.025952  -0.031203
    24  H    0.054283  -0.038779   0.048117   0.039938  -0.114054   0.027621
    25  H    0.080143   0.107685  -0.010784   0.011562  -0.004550  -0.038975
    26  H   -0.135156   0.222734   0.008469  -0.002045   0.020287   0.061905
    27  H   -0.009201  -0.143701   0.004470  -0.007032  -0.006136  -0.008053
    28  H   -0.045701   0.029821  -0.145366   0.716451  -0.000183  -0.056888
    29  C    0.028378  -0.168490  -0.663624  -0.757809   0.318447   0.049367
    30  H    0.009409   0.000708  -0.025141   0.031114  -0.005996  -0.003643
    31  H   -0.008862  -0.068320   0.037123  -0.721091   0.166872   0.060922
    32  H   -0.031875  -0.059042  -0.335473  -0.065390   0.144747   0.033364
    33  H   -0.006920   0.050027   0.119414   0.957126  -0.225450  -0.025853
               7          8          9         10         11         12
     1  C   -1.320508  -0.514097  -0.559326  -0.061269  -0.114844   0.164470
     2  C   -1.493282   0.197112  -0.005256  -0.009624  -0.305419   0.016964
     3  C   -0.500813  -0.000463   0.070187   0.024886  -0.785890  -1.059301
     4  C   -0.485039  -0.191715  -0.071803   0.024303  -5.407826   0.844521
     5  C   -0.601529   0.012849   0.151287   0.005644   0.168714  -0.142840
     6  C    0.018720  -0.236108   0.231259  -0.010010   0.072787  -0.186433
     7  C   11.618431  -0.556985   0.180237   0.087696  -0.321876  -0.005645
     8  C   -0.556985   9.460203  -0.368933  -0.186408  -0.030548   0.002055
     9  C    0.180237  -0.368933   4.870339  -0.287355  -0.001530  -0.000562
    10  C    0.087696  -0.186408  -0.287355   5.166179  -0.005837   0.000274
    11  C   -0.321876  -0.030548  -0.001530  -0.005837  15.743875  -2.607248
    12  C   -0.005645   0.002055  -0.000562   0.000274  -2.607248   8.424099
    13  O   -0.001462   0.000311  -0.000038   0.000025   0.137567  -0.129785
    14  O    0.000401  -0.000156  -0.000031   0.000002   0.094905  -0.337532
    15  H   -0.157129   0.044660   0.013487   0.031358  -0.018259  -0.002408
    16  H    0.095084  -0.007104  -0.000038  -0.002404  -0.001498   0.170586
    17  H    0.119920   0.004213   0.001810  -0.000806  -0.055142  -0.042650
    18  H   -0.400377  -0.009730  -0.034948   0.026277   0.150127   0.007551
    19  H   -0.440305   0.152190   0.038519  -0.142519  -0.020448   0.000137
    20  H   -0.811988  -0.000444   0.009101  -0.036478   0.002435  -0.000175
    21  H   -0.116853  -1.591288   0.185373  -0.122466   0.006673   0.000055
    22  H   -0.268621   0.046928   0.219599  -0.104616   0.000464   0.000113
    23  H    0.074304  -0.133602   0.143638   0.085568   0.002347  -0.000133
    24  H   -0.086967   0.322980   0.142747  -0.104618  -0.014898   0.002406
    25  H   -0.075889  -0.232408  -0.111163   0.408235   0.001083   0.000085
    26  H   -0.212155   0.237962  -0.035258   0.122024   0.000106   0.000006
    27  H    0.110030   0.243389   0.054967   0.049043  -0.001223  -0.000005
    28  H   -0.008279   0.003212  -0.000638  -0.000058  -1.652730   0.210988
    29  C   -0.065792  -0.003865   0.000549   0.000646   0.802879  -0.048306
    30  H   -0.000060   0.000002   0.000026   0.000006   0.028547  -0.071396
    31  H   -0.015821   0.003726  -0.001388   0.000257   0.692456  -0.109262
    32  H   -0.009014   0.000229  -0.000909   0.000121  -0.271594   0.057505
    33  H    0.001803  -0.000581   0.000201  -0.000035  -0.545219   0.004445
              13         14         15         16         17         18
     1  C   -0.067755  -0.051379  -4.680988   1.764011  -0.249930   0.108615
     2  C   -0.011324   0.009012   2.599562  -1.282288   0.065938   0.690221
     3  C    0.126383   0.096562   1.649478  -5.031448   0.110604  -0.218444
     4  C   -0.070633  -0.009992  -1.471277   2.175585   0.638091   0.207113
     5  C    0.014536   0.010577   0.094613   0.520930  -3.104203   1.202336
     6  C    0.014199   0.023793   0.565801   0.014382   1.409705  -2.923628
     7  C   -0.001462   0.000401  -0.157129   0.095084   0.119920  -0.400377
     8  C    0.000311  -0.000156   0.044660  -0.007104   0.004213  -0.009730
     9  C   -0.000038  -0.000031   0.013487  -0.000038   0.001810  -0.034948
    10  C    0.000025   0.000002   0.031358  -0.002404  -0.000806   0.026277
    11  C    0.137567   0.094905  -0.018259  -0.001498  -0.055142   0.150127
    12  C   -0.129785  -0.337532  -0.002408   0.170586  -0.042650   0.007551
    13  O    8.487706   0.011072  -0.001235  -0.043138   0.004473  -0.000163
    14  O    0.011072   8.384628  -0.000390  -0.018297   0.013048  -0.000280
    15  H   -0.001235  -0.000390   4.040992  -0.437391   0.001890  -0.024051
    16  H   -0.043138  -0.018297  -0.437391   4.260597  -0.034659   0.005322
    17  H    0.004473   0.013048   0.001890  -0.034659   3.693683  -0.435434
    18  H   -0.000163  -0.000280  -0.024051   0.005322  -0.435434   3.783747
    19  H    0.000006  -0.000078  -0.001156   0.001361   0.023927  -0.167304
    20  H   -0.000113  -0.000061  -0.075768   0.007678  -0.006120   0.035654
    21  H    0.000009  -0.000014  -0.069642   0.002927   0.001449  -0.000379
    22  H    0.000005  -0.000000  -0.012059   0.001962   0.002711  -0.022764
    23  H   -0.000009  -0.000013   0.004052  -0.000876  -0.001462   0.008299
    24  H   -0.000122   0.000059   0.023779  -0.006320   0.000160  -0.005554
    25  H   -0.000003   0.000003   0.005120  -0.000519  -0.000818   0.014988
    26  H    0.000007   0.000004   0.014361   0.000029   0.000083   0.000701
    27  H    0.000004  -0.000001  -0.005396   0.000204   0.000222  -0.004169
    28  H   -0.004371  -0.037458   0.003484  -0.018800  -0.204507   0.005999
    29  C    0.002969   0.001098   0.003133   0.039758   0.021858   0.012843
    30  H   -0.038914   0.263649  -0.000054   0.002863  -0.000766  -0.000000
    31  H    0.019060   0.007242  -0.004337   0.015125  -0.010115   0.005280
    32  H    0.011919  -0.010888   0.004887  -0.087189   0.010056  -0.001406
    33  H    0.003414   0.003466  -0.000932   0.012887   0.003700   0.000044
              19         20         21         22         23         24
     1  C   -0.806225   0.908338   0.294137  -0.071046  -0.054639   0.054283
     2  C   -0.644632  -0.402794  -0.194347  -0.089456   0.073267  -0.038779
     3  C   -0.094386   0.256550   0.011726   0.016364  -0.000979   0.048117
     4  C   -0.016027   0.208924   0.096455  -0.001630  -0.006213   0.039938
     5  C    0.434114  -0.267902  -0.008187   0.071879   0.025952  -0.114054
     6  C    0.734520  -0.415140   0.031746   0.148340  -0.031203   0.027621
     7  C   -0.440305  -0.811988  -0.116853  -0.268621   0.074304  -0.086967
     8  C    0.152190  -0.000444  -1.591288   0.046928  -0.133602   0.322980
     9  C    0.038519   0.009101   0.185373   0.219599   0.143638   0.142747
    10  C   -0.142519  -0.036478  -0.122466  -0.104616   0.085568  -0.104618
    11  C   -0.020448   0.002435   0.006673   0.000464   0.002347  -0.014898
    12  C    0.000137  -0.000175   0.000055   0.000113  -0.000133   0.002406
    13  O    0.000006  -0.000113   0.000009   0.000005  -0.000009  -0.000122
    14  O   -0.000078  -0.000061  -0.000014  -0.000000  -0.000013   0.000059
    15  H   -0.001156  -0.075768  -0.069642  -0.012059   0.004052   0.023779
    16  H    0.001361   0.007678   0.002927   0.001962  -0.000876  -0.006320
    17  H    0.023927  -0.006120   0.001449   0.002711  -0.001462   0.000160
    18  H   -0.167304   0.035654  -0.000379  -0.022764   0.008299  -0.005554
    19  H    2.842452  -0.425644   0.108096   0.037991   0.008276  -0.020917
    20  H   -0.425644   2.588666   0.021157   0.011264  -0.011685   0.029397
    21  H    0.108096   0.021157   3.086884   0.141663  -0.062163  -0.091160
    22  H    0.037991   0.011264   0.141663   1.771720  -0.429936  -0.314879
    23  H    0.008276  -0.011685  -0.062163  -0.429936   2.156476  -0.571346
    24  H   -0.020917   0.029397  -0.091160  -0.314879  -0.571346   1.975668
    25  H   -0.064068  -0.012041   0.127394   0.003805  -0.017301   0.000210
    26  H    0.009276  -0.076071  -0.102418  -0.000633   0.032369  -0.022067
    27  H    0.016725   0.030288  -0.107988  -0.027286  -0.027857   0.025803
    28  H   -0.001652   0.000113  -0.000294  -0.000442   0.000323  -0.000251
    29  C   -0.002750  -0.000124   0.000447   0.000390   0.000972  -0.004871
    30  H    0.000039  -0.000051  -0.000027  -0.000002   0.000003   0.000007
    31  H   -0.000934  -0.000186   0.000611   0.000074  -0.000073  -0.003780
    32  H   -0.000149  -0.000186  -0.000104  -0.000107   0.000035  -0.001039
    33  H    0.000135   0.000144   0.000101   0.000085   0.000058   0.000646
              25         26         27         28         29         30
     1  C    0.080143  -0.135156  -0.009201  -0.045701   0.028378   0.009409
     2  C    0.107685   0.222734  -0.143701   0.029821  -0.168490   0.000708
     3  C   -0.010784   0.008469   0.004470  -0.145366  -0.663624  -0.025141
     4  C    0.011562  -0.002045  -0.007032   0.716451  -0.757809   0.031114
     5  C   -0.004550   0.020287  -0.006136  -0.000183   0.318447  -0.005996
     6  C   -0.038975   0.061905  -0.008053  -0.056888   0.049367  -0.003643
     7  C   -0.075889  -0.212155   0.110030  -0.008279  -0.065792  -0.000060
     8  C   -0.232408   0.237962   0.243389   0.003212  -0.003865   0.000002
     9  C   -0.111163  -0.035258   0.054967  -0.000638   0.000549   0.000026
    10  C    0.408235   0.122024   0.049043  -0.000058   0.000646   0.000006
    11  C    0.001083   0.000106  -0.001223  -1.652730   0.802879   0.028547
    12  C    0.000085   0.000006  -0.000005   0.210988  -0.048306  -0.071396
    13  O   -0.000003   0.000007   0.000004  -0.004371   0.002969  -0.038914
    14  O    0.000003   0.000004  -0.000001  -0.037458   0.001098   0.263649
    15  H    0.005120   0.014361  -0.005396   0.003484   0.003133  -0.000054
    16  H   -0.000519   0.000029   0.000204  -0.018800   0.039758   0.002863
    17  H   -0.000818   0.000083   0.000222  -0.204507   0.021858  -0.000766
    18  H    0.014988   0.000701  -0.004169   0.005999   0.012843  -0.000000
    19  H   -0.064068   0.009276   0.016725  -0.001652  -0.002750   0.000039
    20  H   -0.012041  -0.076071   0.030288   0.000113  -0.000124  -0.000051
    21  H    0.127394  -0.102418  -0.107988  -0.000294   0.000447  -0.000027
    22  H    0.003805  -0.000633  -0.027286  -0.000442   0.000390  -0.000002
    23  H   -0.017301   0.032369  -0.027857   0.000323   0.000972   0.000003
    24  H    0.000210  -0.022067   0.025803  -0.000251  -0.004871   0.000007
    25  H    1.666577  -0.294835  -0.425981   0.000045   0.000128   0.000001
    26  H   -0.294835   1.820219  -0.464184   0.000031   0.000189   0.000001
    27  H   -0.425981  -0.464184   1.908139  -0.000037  -0.000179   0.000000
    28  H    0.000045   0.000031  -0.000037   2.705076   0.025969   0.009354
    29  C    0.000128   0.000189  -0.000179   0.025969   4.951552   0.009612
    30  H    0.000001   0.000001   0.000000   0.009354   0.009612   0.611590
    31  H    0.000075   0.000034  -0.000048  -0.025193   0.112310  -0.000756
    32  H    0.000018  -0.000004  -0.000034   0.087362   0.621785   0.003146
    33  H    0.000002   0.000010  -0.000014   0.010943  -0.314382   0.000384
              31         32         33
     1  C   -0.008862  -0.031875  -0.006920
     2  C   -0.068320  -0.059042   0.050027
     3  C    0.037123  -0.335473   0.119414
     4  C   -0.721091  -0.065390   0.957126
     5  C    0.166872   0.144747  -0.225450
     6  C    0.060922   0.033364  -0.025853
     7  C   -0.015821  -0.009014   0.001803
     8  C    0.003726   0.000229  -0.000581
     9  C   -0.001388  -0.000909   0.000201
    10  C    0.000257   0.000121  -0.000035
    11  C    0.692456  -0.271594  -0.545219
    12  C   -0.109262   0.057505   0.004445
    13  O    0.019060   0.011919   0.003414
    14  O    0.007242  -0.010888   0.003466
    15  H   -0.004337   0.004887  -0.000932
    16  H    0.015125  -0.087189   0.012887
    17  H   -0.010115   0.010056   0.003700
    18  H    0.005280  -0.001406   0.000044
    19  H   -0.000934  -0.000149   0.000135
    20  H   -0.000186  -0.000186   0.000144
    21  H    0.000611  -0.000104   0.000101
    22  H    0.000074  -0.000107   0.000085
    23  H   -0.000073   0.000035   0.000058
    24  H   -0.003780  -0.001039   0.000646
    25  H    0.000075   0.000018   0.000002
    26  H    0.000034  -0.000004   0.000010
    27  H   -0.000048  -0.000034  -0.000014
    28  H   -0.025193   0.087362   0.010943
    29  C    0.112310   0.621785  -0.314382
    30  H   -0.000756   0.003146   0.000384
    31  H    1.779559  -0.337295  -0.387376
    32  H   -0.337295   1.778164  -0.359383
    33  H   -0.387376  -0.359383   1.956775
 Mulliken charges:
               1
     1  C    0.631383
     2  C    1.436823
     3  C    1.246378
     4  C    0.733604
     5  C    0.068283
     6  C   -0.161628
     7  C    1.649762
     8  C   -0.667588
     9  C    1.165852
    10  C    1.041959
    11  C    0.257063
    12  C    0.837421
    13  O   -0.464597
    14  O   -0.452952
    15  H   -1.138185
    16  H   -1.119323
    17  H   -0.980928
    18  H   -1.016485
    19  H   -0.558570
    20  H   -0.566740
    21  H   -0.649572
    22  H   -0.131880
    23  H   -0.266445
    24  H   -0.292200
    25  H   -0.137824
    26  H   -0.205980
    27  H   -0.204759
    28  H   -0.606322
    29  C    1.024915
    30  H    0.176344
    31  H   -0.205886
    32  H   -0.182256
    33  H   -0.259666
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.506802
     2  C    1.436823
     3  C    0.127055
     4  C    0.733604
     5  C   -0.912645
     6  C   -1.178113
     7  C    0.524453
     8  C   -1.317160
     9  C    0.475326
    10  C    0.493396
    11  C   -0.349259
    12  C    0.837421
    13  O   -0.464597
    14  O   -0.276609
    29  C    0.377106
 Electronic spatial extent (au):  <R**2>=           4745.4354
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0077    Y=              0.3328    Z=              1.1622  Tot=              1.5738
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.2911   YY=            -89.8674   ZZ=            -92.8369
   XY=              1.4232   XZ=              6.4004   YZ=              0.1971
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7074   YY=              1.1311   ZZ=             -1.8384
   XY=              1.4232   XZ=              6.4004   YZ=              0.1971
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.1710  YYY=            -15.4371  ZZZ=              3.7577  XYY=             28.5194
  XXY=             -9.7246  XXZ=             29.3448  XZZ=             -7.6570  YZZ=              2.4295
  YYZ=              1.4030  XYZ=             -9.0469
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5251.1261 YYYY=           -603.9083 ZZZZ=           -526.8278 XXXY=            -99.8076
 XXXZ=            150.4111 YYYX=            -59.8981 YYYZ=            -10.3674 ZZZX=              1.1880
 ZZZY=             10.9320 XXYY=           -900.6508 XXZZ=          -1016.2957 YYZZ=           -194.3763
 XXYZ=            -54.4120 YYXZ=             30.9800 ZZXY=              4.5692
 N-N= 9.705421025730D+02 E-N=-3.466945040255D+03  KE= 6.517135337789D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 22:24:26 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.0601    2.0610        4.4264    4.4268
 2     -2.0601   -2.0610       -3.3820   -3.3825      -42.9383  -42.9388
 3     -4.4264   -4.4268       36.7206   36.7211        3.3824    3.3825
 4      3.3820    3.3825       -0.0000    0.0000       -4.4257   -4.4268
 5      6.2177    6.2177        4.4256    4.4268        2.0630    2.0610
 6     -3.3824   -3.3825       -2.0630   -2.0610        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.1829   -6.1829       13.2804   13.2804
 2     10.1475   10.1475        0.0000    0.0000       13.2804   13.2804
 3     10.1475   10.1475       -6.1829   -6.1829        0.0000    0.0000
 4     -6.1829   -6.1829      -10.1475  -10.1475     -128.8163 -128.8163
 5    -13.2804  -13.2804      110.1632  110.1632       10.1475   10.1475
 6     18.6531   18.6531       13.2804   13.2804        6.1829    6.1829
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0089    0.0000       -8.3089   -8.2438      -17.8268  -17.7071
 2      8.2378    8.2438       13.5308   13.5300      171.7683  171.7551
 3     17.6861   17.7071     -146.7978 -146.8843      -13.5122  -13.5300
 4    -13.5068  -13.5300       -0.0221    0.0000       17.6550   17.7071
 5    -24.8772  -24.8708      -17.6685  -17.7071       -8.2618   -8.2438
 6     13.5028   13.5300        8.2469    8.2438       -0.0095    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0300    0.0000       22.8040   22.8526       43.7438   43.7351
 2    -22.9475  -22.8526       18.5098   18.4923       47.9508   47.8689
 3    -43.6413  -43.7351        4.9955    4.9302      -18.5389  -18.4923
 4    -18.5097  -18.4923        0.0105    0.0000      -43.7349  -43.7351
 5    -52.8705  -52.7991       43.6056   43.7351       22.7116   22.8526
 6     18.5112   18.4923      -22.7759  -22.8526       -0.0011    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     21.8836   21.9813       30.0210   30.0198      -22.3613  -22.2493
 2    -23.4769  -23.4536       84.2639   84.3602      -22.3338  -22.2493
 3    -23.4972  -23.4536       29.9004   30.0198      -51.9407  -51.8131
 4    -54.4002  -54.3405       45.5246   45.4349       50.0376   50.0231
 5    -29.5059  -29.5639       37.8314   37.8881      -45.3546  -45.4349
 6    -88.0639  -87.9112       29.3862   29.5639       54.0735   54.3405
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.3108                 1.2536                 1.8920
  Dep-P Fr= 1--      0.7115                 0.7492                 0.7434
  Dep-U Fr= 1--      0.8314                 0.8566                 0.8528
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0431                 0.1790                 0.2689
 AlphaG Fr= 1--     -0.0012                 0.0007                 0.0021
 Gamma2 Fr= 1--      0.3433                -1.0747                 0.1116
 Delta2 Fr= 1--      0.2385                -0.2596                -0.9115
 Raman1 Fr= 1--       1.243                  5.014                  7.568
 ROA1   Fr= 1--      40.588               -111.478                -18.453
 CID1   Fr= 1--      32.648                -22.232                 -2.438
 Raman2 Fr= 1--       0.517                  2.148                  3.227
 ROA2   Fr= 1--       6.330                -23.716                  9.971
 CID2   Fr= 1--      12.249                -11.043                  3.090
 Raman3 Fr= 1--       1.034                  4.295                  6.454
 ROA3   Fr= 1--      40.588               -111.478                -18.453
 CID3   Fr= 1--      39.269                -25.954                 -2.859
 RC180  Fr= 1--       0.663                  0.713                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.2954                 1.7505                 2.4532
  Dep-P Fr= 1--      0.7308                 0.7275                 0.6483
  Dep-U Fr= 1--      0.8444                 0.8423                 0.7866
 Alpha2 Fr= 1--      0.0008                 0.0007                 0.0045
 Beta2  Fr= 1--      0.3230                 0.2457                 0.3216
 AlphaG Fr= 1--     -0.0015                 0.0003                 0.0023
 Gamma2 Fr= 1--     -0.3673                 0.1768                 0.0373
 Delta2 Fr= 1--     -0.1560                 0.5589                 0.1055
 Raman1 Fr= 1--       9.181                  7.002                  9.813
 ROA1   Fr= 1--     -40.251                 34.853                  6.954
 CID1   Fr= 1--      -4.384                  4.978                  0.709
 Raman2 Fr= 1--       3.877                  2.949                  3.860
 ROA2   Fr= 1--      -7.567                 -0.229                  0.051
 CID2   Fr= 1--      -1.952                 -0.078                  0.013
 Raman3 Fr= 1--       7.753                  5.898                  7.719
 ROA3   Fr= 1--     -40.251                 34.853                  6.954
 CID3   Fr= 1--      -5.192                  5.910                  0.901
 RC180  Fr= 1--       0.689                  0.685                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.6987                 0.2802                 0.2320
  Dep-P Fr= 1--      0.6036                 0.6875                 0.2533
  Dep-U Fr= 1--      0.7528                 0.8148                 0.4043
 Alpha2 Fr= 1--      0.0019                 0.0003                 0.0027
 Beta2  Fr= 1--      0.0877                 0.0381                 0.0156
 AlphaG Fr= 1--     -0.0071                -0.0015                 0.0002
 Gamma2 Fr= 1--      0.2870                 0.4695                 0.2098
 Delta2 Fr= 1--      0.1682                 0.3501                 0.1169
 Raman1 Fr= 1--       2.795                  1.121                  0.928
 ROA1   Fr= 1--      32.940                 56.273                 23.880
 CID1   Fr= 1--      11.786                 50.203                 25.735
 Raman2 Fr= 1--       1.052                  0.457                  0.188
 ROA2   Fr= 1--       5.543                  8.467                  4.099
 CID2   Fr= 1--       5.270                 18.541                 21.855
 Raman3 Fr= 1--       2.104                  0.913                  0.375
 ROA3   Fr= 1--      32.940                 56.273                 23.880
 CID3   Fr= 1--      15.657                 61.614                 63.660
 RC180  Fr= 1--       0.506                  0.630                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0679                 2.0710                 0.2946
  Dep-P Fr= 1--      0.7474                 0.1993                 0.7390
  Dep-U Fr= 1--      0.8555                 0.3324                 0.8499
 Alpha2 Fr= 1--      0.0000                 0.0282                 0.0001
 Beta2  Fr= 1--      0.0097                 0.1147                 0.0417
 AlphaG Fr= 1--     -0.0001                -0.0050                 0.0021
 Gamma2 Fr= 1--     -0.1783                -0.1124                -0.4953
 Delta2 Fr= 1--     -0.0102                 0.1185                -0.2006
 Raman1 Fr= 1--       0.272                  8.284                  1.179
 ROA1   Fr= 1--     -17.449                 -6.996                -53.963
 CID1   Fr= 1--     -64.267                 -0.844                -45.788
 Raman2 Fr= 1--       0.116                  1.377                  0.501
 ROA2   Fr= 1--      -4.198                 -3.644                -10.281
 CID2   Fr= 1--     -36.151                 -2.647                -20.530
 Raman3 Fr= 1--       0.232                  2.754                  1.002
 ROA3   Fr= 1--     -17.449                 -6.996                -53.963
 CID3   Fr= 1--     -75.125                 -2.540                -53.876
 RC180  Fr= 1--       0.711                 -0.335                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      1.8486                 0.4936                 2.2334
  Dep-P Fr= 1--      0.0682                 0.6996                 0.7277
  Dep-U Fr= 1--      0.1277                 0.8233                 0.8424
 Alpha2 Fr= 1--      0.0350                 0.0004                 0.0009
 Beta2  Fr= 1--      0.0393                 0.0677                 0.3136
 AlphaG Fr= 1--      0.0146                 0.0008                 0.0043
 Gamma2 Fr= 1--      0.0119                -0.1095                 0.2969
 Delta2 Fr= 1--     -0.0678                -0.2948                -0.2363
 Raman1 Fr= 1--       7.394                  1.974                  8.933
 ROA1   Fr= 1--      -1.024                -19.942                 20.941
 CID1   Fr= 1--      -0.138                -10.101                  2.344
 Raman2 Fr= 1--       0.472                  0.813                  3.763
 ROA2   Fr= 1--       0.829                 -0.269                  9.016
 CID2   Fr= 1--       1.756                 -0.331                  2.396
 Raman3 Fr= 1--       0.944                  1.625                  7.525
 ROA3   Fr= 1--      -1.024                -19.942                 20.941
 CID3   Fr= 1--      -1.085                -12.269                  2.783
 RC180  Fr= 1--      -0.745                  0.647                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.5777                 3.8930                 0.1262
  Dep-P Fr= 1--      0.0944                 0.1658                 0.4600
  Dep-U Fr= 1--      0.1725                 0.2845                 0.6301
 Alpha2 Fr= 1--      0.0103                 0.0578                 0.0007
 Beta2  Fr= 1--      0.0166                 0.1846                 0.0133
 AlphaG Fr= 1--     -0.0034                -0.0328                 0.0137
 Gamma2 Fr= 1--     -0.3207                 0.0857                -0.2516
 Delta2 Fr= 1--     -0.0700                 0.1752                -0.0030
 Raman1 Fr= 1--       2.311                 15.572                  0.505
 ROA1   Fr= 1--     -33.027                 13.834                -24.251
 CID1   Fr= 1--     -14.294                  0.888                -48.036
 Raman2 Fr= 1--       0.199                  2.215                  0.159
 ROA2   Fr= 1--      -7.137                  0.655                 -6.014
 CID2   Fr= 1--     -35.806                  0.296                -37.812
 Raman3 Fr= 1--       0.399                  4.430                  0.318
 ROA3   Fr= 1--     -33.027                 13.834                -24.251
 CID3   Fr= 1--     -82.845                  3.123                -76.235
 RC180  Fr= 1--      -0.655                 -0.431                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.4074                 1.0503                 0.4757
  Dep-P Fr= 1--      0.3999                 0.2273                 0.6490
  Dep-U Fr= 1--      0.5713                 0.3704                 0.7871
 Alpha2 Fr= 1--      0.0030                 0.0133                 0.0009
 Beta2  Fr= 1--      0.0388                 0.0648                 0.0624
 AlphaG Fr= 1--     -0.0119                 0.0000                -0.0015
 Gamma2 Fr= 1--     -0.1208                -0.1599                -0.0566
 Delta2 Fr= 1--     -0.0230                 0.1613                 0.1353
 Raman1 Fr= 1--       1.630                  4.201                  1.903
 ROA1   Fr= 1--     -12.336                -10.194                 -1.102
 CID1   Fr= 1--      -7.569                 -2.426                 -0.579
 Raman2 Fr= 1--       0.466                  0.778                  0.749
 ROA2   Fr= 1--      -2.716                 -5.129                 -2.441
 CID2   Fr= 1--      -5.834                 -6.592                 -3.260
 Raman3 Fr= 1--       0.931                  1.556                  1.498
 ROA3   Fr= 1--     -12.336                -10.194                 -1.102
 CID3   Fr= 1--     -13.249                 -6.551                 -0.736
 RC180  Fr= 1--       0.143                 -0.259                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.4826                 0.8692                 3.2793
  Dep-P Fr= 1--      0.2551                 0.7355                 0.6103
  Dep-U Fr= 1--      0.4065                 0.8476                 0.7580
 Alpha2 Fr= 1--      0.0173                 0.0002                 0.0084
 Beta2  Fr= 1--      0.1004                 0.1228                 0.4143
 AlphaG Fr= 1--     -0.0020                 0.0033                -0.0334
 Gamma2 Fr= 1--     -0.2474                -1.0710                -0.2998
 Delta2 Fr= 1--      0.2251                -0.4971                 0.1006
 Raman1 Fr= 1--       5.931                  3.477                 13.117
 ROA1   Fr= 1--     -16.551               -118.723                -25.565
 CID1   Fr= 1--      -2.791                -34.148                 -1.949
 Raman2 Fr= 1--       1.205                  1.473                  4.972
 ROA2   Fr= 1--      -7.739                -21.727                 -8.001
 CID2   Fr= 1--      -6.421                -14.746                 -1.609
 Raman3 Fr= 1--       2.410                  2.947                  9.943
 ROA3   Fr= 1--     -16.551               -118.723                -25.565
 CID3   Fr= 1--      -6.866                -40.289                 -2.571
 RC180  Fr= 1--      -0.187                  0.695                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.5088                 1.7326                13.1834
  Dep-P Fr= 1--      0.5349                 0.1422                 0.0362
  Dep-U Fr= 1--      0.6970                 0.2490                 0.0698
 Alpha2 Fr= 1--      0.0187                 0.0273                 0.2691
 Beta2  Fr= 1--      0.5238                 0.0719                 0.1534
 AlphaG Fr= 1--     -0.0193                 0.0211                 0.1566
 Gamma2 Fr= 1--      0.0649                 1.1711                -0.0501
 Delta2 Fr= 1--     -0.3990                 0.1589                -0.3276
 Raman1 Fr= 1--      18.035                  6.930                 52.733
 ROA1   Fr= 1--      -6.542                117.514                -15.288
 CID1   Fr= 1--      -0.363                 16.956                 -0.290
 Raman2 Fr= 1--       6.285                  0.863                  1.841
 ROA2   Fr= 1--       4.748                 26.836                  1.419
 CID2   Fr= 1--       0.755                 31.106                  0.771
 Raman3 Fr= 1--      12.570                  1.725                  3.682
 ROA3   Fr= 1--      -6.542                117.514                -15.288
 CID3   Fr= 1--      -0.520                 68.105                 -4.152
 RC180  Fr= 1--       0.394                 -0.502                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      6.8202                 6.0534                25.5900
  Dep-P Fr= 1--      0.0699                 0.1903                 0.0475
  Dep-U Fr= 1--      0.1307                 0.3197                 0.0907
 Alpha2 Fr= 1--      0.1285                 0.0843                 0.5085
 Beta2  Fr= 1--      0.1485                 0.3226                 0.3867
 AlphaG Fr= 1--      0.0663                 0.0175                 0.1557
 Gamma2 Fr= 1--      2.0392                -1.1730                 1.0629
 Delta2 Fr= 1--      1.2760                -0.6318                -0.0972
 Raman1 Fr= 1--      27.281                 24.213                102.360
 ROA1   Fr= 1--     236.593               -132.825                 98.933
 CID1   Fr= 1--       8.672                 -5.486                  0.967
 Raman2 Fr= 1--       1.782                  3.871                  4.640
 ROA2   Fr= 1--      38.731                -23.098                 26.288
 CID2   Fr= 1--      21.730                 -5.967                  5.665
 Raman3 Fr= 1--       3.565                  7.742                  9.280
 ROA3   Fr= 1--     236.593               -132.825                 98.933
 CID3   Fr= 1--      66.368                -17.157                 10.660
 RC180  Fr= 1--      -0.739                 -0.361                 -0.819
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.3382                 9.0227                 1.9445
  Dep-P Fr= 1--      0.3014                 0.2120                 0.2079
  Dep-U Fr= 1--      0.4631                 0.3498                 0.3443
 Alpha2 Fr= 1--      0.0137                 0.1187                 0.0259
 Beta2  Fr= 1--      0.1033                 0.5260                 0.1116
 AlphaG Fr= 1--     -0.0399                -0.0983                 0.0196
 Gamma2 Fr= 1--     -0.2993                -0.5559                 1.6063
 Delta2 Fr= 1--     -0.4776                -1.1032                 1.3721
 Raman1 Fr= 1--       5.353                 36.091                  7.778
 ROA1   Fr= 1--     -44.018                -88.668                198.108
 CID1   Fr= 1--      -8.223                 -2.457                 25.471
 Raman2 Fr= 1--       1.240                  6.312                  1.339
 ROA2   Fr= 1--      -3.363                 -4.515                 27.574
 CID2   Fr= 1--      -2.713                 -0.715                 20.597
 Raman3 Fr= 1--       2.479                 12.624                  2.678
 ROA3   Fr= 1--     -44.018                -88.668                198.108
 CID3   Fr= 1--     -17.755                 -7.024                 73.989
 RC180  Fr= 1--      -0.074                 -0.300                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.4066                 1.0681                 4.1112
  Dep-P Fr= 1--      0.7420                 0.5148                 0.7014
  Dep-U Fr= 1--      0.8519                 0.6797                 0.8245
 Alpha2 Fr= 1--      0.0003                 0.0049                 0.0035
 Beta2  Fr= 1--      0.3417                 0.1210                 0.5650
 AlphaG Fr= 1--     -0.0033                -0.0251                 0.0065
 Gamma2 Fr= 1--      0.9015                 0.2636                 1.4717
 Delta2 Fr= 1--      0.1859                 0.6406                -0.2616
 Raman1 Fr= 1--       9.626                  4.272                 16.445
 ROA1   Fr= 1--      92.491                 45.801                132.916
 CID1   Fr= 1--       9.608                 10.721                  8.083
 Raman2 Fr= 1--       4.100                  1.452                  6.780
 ROA2   Fr= 1--      20.148                  1.201                 37.415
 CID2   Fr= 1--       4.914                  0.827                  5.519
 Raman3 Fr= 1--       8.201                  2.904                 13.559
 ROA3   Fr= 1--      92.491                 45.801                132.916
 CID3   Fr= 1--      11.278                 15.772                  9.803
 RC180  Fr= 1--       0.704                  0.359                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      1.4621                 2.0875                 0.4834
  Dep-P Fr= 1--      0.6093                 0.6159                 0.6887
  Dep-U Fr= 1--      0.7573                 0.7623                 0.8157
 Alpha2 Fr= 1--      0.0038                 0.0051                 0.0005
 Beta2  Fr= 1--      0.1845                 0.2652                 0.0657
 AlphaG Fr= 1--     -0.0576                -0.0038                 0.0024
 Gamma2 Fr= 1--      0.0779                 0.3916                 0.5601
 Delta2 Fr= 1--     -0.0243                 0.2460                -0.0472
 Raman1 Fr= 1--       5.848                  8.350                  1.934
 ROA1   Fr= 1--       6.699                 45.466                 52.263
 CID1   Fr= 1--       1.145                  5.445                 27.028
 Raman2 Fr= 1--       2.214                  3.183                  0.789
 ROA2   Fr= 1--       2.064                  7.431                 13.820
 CID2   Fr= 1--       0.932                  2.335                 17.525
 Raman3 Fr= 1--       4.429                  6.365                  1.577
 ROA3   Fr= 1--       6.699                 45.466                 52.263
 CID3   Fr= 1--       1.513                  7.143                 33.136
 RC180  Fr= 1--       0.515                  0.525                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     11.4478                 0.0433                 2.9702
  Dep-P Fr= 1--      0.2302                 0.7492                 0.6409
  Dep-U Fr= 1--      0.3743                 0.8566                 0.7811
 Alpha2 Fr= 1--      0.1433                 0.0000                 0.0059
 Beta2  Fr= 1--      0.7142                 0.0062                 0.3867
 AlphaG Fr= 1--      0.0597                -0.0000                 0.0297
 Gamma2 Fr= 1--     -0.0356                -0.1803                -1.2210
 Delta2 Fr= 1--     -1.5354                 0.1087                 0.7721
 Raman1 Fr= 1--      45.791                  0.173                 11.881
 ROA1   Fr= 1--     -52.552                -13.827                -92.513
 CID1   Fr= 1--      -1.148                -79.877                 -7.787
 Raman2 Fr= 1--       8.570                  0.074                  4.640
 ROA2   Fr= 1--      11.428                 -5.196                -35.482
 CID2   Fr= 1--       1.334                -70.089                 -7.647
 Raman3 Fr= 1--      17.140                  0.148                  9.280
 ROA3   Fr= 1--     -52.552                -13.827                -92.513
 CID3   Fr= 1--      -3.066                -93.246                 -9.969
 RC180  Fr= 1--      -0.251                  0.713                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      1.7370                 4.3896                14.1786
  Dep-P Fr= 1--      0.2311                 0.3251                 0.4746
  Dep-U Fr= 1--      0.3754                 0.4907                 0.6437
 Alpha2 Fr= 1--      0.0217                 0.0417                 0.0785
 Beta2  Fr= 1--      0.1087                 0.3590                 1.5210
 AlphaG Fr= 1--     -0.0099                 0.0554                 0.1088
 Gamma2 Fr= 1--     -1.1348                 1.1865                -1.2199
 Delta2 Fr= 1--      0.4153                 0.4813                -0.8773
 Raman1 Fr= 1--       6.948                 17.559                 56.715
 ROA1   Fr= 1--     -95.652                129.302               -145.188
 CID1   Fr= 1--     -13.767                  7.364                 -2.560
 Raman2 Fr= 1--       1.304                  4.308                 18.252
 ROA2   Fr= 1--     -30.558                 24.624                -22.260
 CID2   Fr= 1--     -23.433                  5.716                 -1.220
 Raman3 Fr= 1--       2.608                  8.616                 36.505
 ROA3   Fr= 1--     -95.652                129.302               -145.188
 CID3   Fr= 1--     -36.674                 15.007                 -3.977
 RC180  Fr= 1--      -0.249                 -0.019                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      7.6299                 1.4182                 3.0148
  Dep-P Fr= 1--      0.1469                 0.6429                 0.4890
  Dep-U Fr= 1--      0.2562                 0.7826                 0.6568
 Alpha2 Fr= 1--      0.1189                 0.0027                 0.0157
 Beta2  Fr= 1--      0.3258                 0.1850                 0.3300
 AlphaG Fr= 1--      0.0685                -0.0124                 0.0268
 Gamma2 Fr= 1--      1.7253                -2.0563                -1.0614
 Delta2 Fr= 1--      0.7614                -0.7211                 0.5670
 Raman1 Fr= 1--      30.519                  5.673                 12.059
 ROA1   Fr= 1--     189.991               -220.475                -83.749
 CID1   Fr= 1--       6.225                -38.866                 -6.945
 Raman2 Fr= 1--       3.910                  2.220                  3.960
 ROA2   Fr= 1--      35.315                -43.582                -30.010
 CID2   Fr= 1--       9.032                -19.633                 -7.577
 Raman3 Fr= 1--       7.820                  4.440                  7.921
 ROA3   Fr= 1--     189.991               -220.475                -83.749
 CID3   Fr= 1--      24.295                -49.662                -10.573
 RC180  Fr= 1--      -0.488                  0.565                  0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     47.7192                44.6042                35.4010
  Dep-P Fr= 1--      0.0964                 0.1638                 0.1440
  Dep-U Fr= 1--      0.1758                 0.2814                 0.2518
 Alpha2 Fr= 1--      0.8429                 0.6657                 0.5556
 Beta2  Fr= 1--      1.3981                 2.0922                 1.4857
 AlphaG Fr= 1--      0.0957                 0.0147                 0.1462
 Gamma2 Fr= 1--      1.7050                 1.9915                 1.7360
 Delta2 Fr= 1--     -0.4904                 0.0474                -0.4399
 Raman1 Fr= 1--     190.877                178.417                141.604
 ROA1   Fr= 1--     147.990                192.705                152.583
 CID1   Fr= 1--       0.775                  1.080                  1.078
 Raman2 Fr= 1--      16.778                 25.107                 17.829
 ROA2   Fr= 1--      44.844                 47.418                 45.184
 CID2   Fr= 1--       2.673                  1.889                  2.534
 Raman3 Fr= 1--      33.555                 50.214                 35.658
 ROA3   Fr= 1--     147.990                192.705                152.583
 CID3   Fr= 1--       4.410                  3.838                  4.279
 RC180  Fr= 1--      -0.648                 -0.437                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      5.8863                 5.7605                 4.3368
  Dep-P Fr= 1--      0.5689                 0.5210                 0.4967
  Dep-U Fr= 1--      0.7252                 0.6851                 0.6638
 Alpha2 Fr= 1--      0.0201                 0.0257                 0.0217
 Beta2  Fr= 1--      0.7114                 0.6577                 0.4798
 AlphaG Fr= 1--      0.0060                 0.0340                 0.0127
 Gamma2 Fr= 1--     -2.1371                 1.7925                -5.1235
 Delta2 Fr= 1--     -0.0238                 1.2829                -1.6915
 Raman1 Fr= 1--      23.545                 23.042                 17.347
 ROA1   Fr= 1--    -205.918                213.131               -545.980
 CID1   Fr= 1--      -8.746                  9.250                -31.474
 Raman2 Fr= 1--       8.537                  7.892                  5.757
 ROA2   Fr= 1--     -51.099                 32.757               -109.432
 CID2   Fr= 1--      -5.985                  4.150                -19.008
 Raman3 Fr= 1--      17.075                 15.785                 11.515
 ROA3   Fr= 1--    -205.918                213.131               -545.980
 CID3   Fr= 1--     -12.060                 13.502                -47.417
 RC180  Fr= 1--       0.450                  0.370                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     19.1485                 2.5135                 9.8384
  Dep-P Fr= 1--      0.3019                 0.7472                 0.3313
  Dep-U Fr= 1--      0.4638                 0.8553                 0.4977
 Alpha2 Fr= 1--      0.1953                 0.0001                 0.0917
 Beta2  Fr= 1--      1.4801                 0.3583                 0.8161
 AlphaG Fr= 1--      0.0092                -0.0054                 0.1142
 Gamma2 Fr= 1--     -1.3479                 4.4578                -1.1920
 Delta2 Fr= 1--      0.4760                 1.6588                -1.0570
 Raman1 Fr= 1--      76.594                 10.054                 39.354
 ROA1   Fr= 1--    -114.167                481.029               -148.261
 CID1   Fr= 1--      -1.491                 47.845                 -3.767
 Raman2 Fr= 1--      17.762                  4.300                  9.793
 ROA2   Fr= 1--     -36.158                 93.717                -20.153
 CID2   Fr= 1--      -2.036                 21.797                 -2.058
 Raman3 Fr= 1--      35.523                  8.599                 19.586
 ROA3   Fr= 1--    -114.167                481.029               -148.261
 CID3   Fr= 1--      -3.214                 55.940                 -7.570
 RC180  Fr= 1--      -0.072                  0.711                 -0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      4.9116                22.4436                 4.8464
  Dep-P Fr= 1--      0.2265                 0.5294                 0.7391
  Dep-U Fr= 1--      0.3693                 0.6923                 0.8499
 Alpha2 Fr= 1--      0.0621                 0.0959                 0.0009
 Beta2  Fr= 1--      0.3023                 2.5897                 0.6865
 AlphaG Fr= 1--      0.2106                 0.2430                 0.0177
 Gamma2 Fr= 1--      3.3862                 2.7675                 1.6174
 Delta2 Fr= 1--      0.5435                -2.3605                -1.7468
 Raman1 Fr= 1--      19.647                 89.775                 19.386
 ROA1   Fr= 1--     342.473                190.140                 99.373
 CID1   Fr= 1--      17.432                  2.118                  5.126
 Raman2 Fr= 1--       3.628                 31.076                  8.238
 ROA2   Fr= 1--      76.922                 85.303                 52.791
 CID2   Fr= 1--      21.205                  2.745                  6.408
 Raman3 Fr= 1--       7.255                 62.152                 16.477
 ROA3   Fr= 1--     342.473                190.140                 99.373
 CID3   Fr= 1--      47.204                  3.059                  6.031
 RC180  Fr= 1--      -0.261                  0.385                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.1220                 1.0960                 1.4142
  Dep-P Fr= 1--      0.4364                 0.5911                 0.5004
  Dep-U Fr= 1--      0.6076                 0.7430                 0.6670
 Alpha2 Fr= 1--      0.0008                 0.0032                 0.0070
 Beta2  Fr= 1--      0.0124                 0.1357                 0.1572
 AlphaG Fr= 1--      0.0026                 0.0085                 0.0122
 Gamma2 Fr= 1--     -0.0849                -0.1391                 0.0847
 Delta2 Fr= 1--     -0.0028                 0.0953                -0.1226
 Raman1 Fr= 1--       0.488                  4.384                  5.657
 ROA1   Fr= 1--      -8.241                -10.304                  4.203
 CID1   Fr= 1--     -16.883                 -2.350                  0.743
 Raman2 Fr= 1--       0.148                  1.629                  1.887
 ROA2   Fr= 1--      -2.015                 -4.101                  3.013
 CID2   Fr= 1--     -13.588                 -2.518                  1.597
 Raman3 Fr= 1--       0.297                  3.257                  3.773
 ROA3   Fr= 1--      -8.241                -10.304                  4.203
 CID3   Fr= 1--     -27.786                 -3.163                  1.114
 RC180  Fr= 1--       0.215                  0.486                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.5256                 1.7540                10.0096
  Dep-P Fr= 1--      0.5432                 0.6372                 0.7287
  Dep-U Fr= 1--      0.7040                 0.7784                 0.8430
 Alpha2 Fr= 1--      0.0021                 0.0036                 0.0037
 Beta2  Fr= 1--      0.0617                 0.2276                 1.4064
 AlphaG Fr= 1--     -0.0321                 0.0411                -0.0046
 Gamma2 Fr= 1--     -3.4187                 1.2540                 4.7950
 Delta2 Fr= 1--      1.5205                -0.3628                 0.6937
 Raman1 Fr= 1--       2.102                  7.016                 40.039
 ROA1   Fr= 1--    -279.538                108.775                482.522
 CID1   Fr= 1--    -132.969                 15.504                 12.051
 Raman2 Fr= 1--       0.740                  2.731                 16.877
 ROA2   Fr= 1--     -94.213                 32.999                109.532
 CID2   Fr= 1--    -127.315                 12.084                  6.490
 Raman3 Fr= 1--       1.480                  5.462                 33.754
 ROA3   Fr= 1--    -279.538                108.775                482.522
 CID3   Fr= 1--    -188.877                 19.917                 14.295
 RC180  Fr= 1--       0.408                  0.557                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      4.1446                 4.4748                 4.1536
  Dep-P Fr= 1--      0.5688                 0.6833                 0.6147
  Dep-U Fr= 1--      0.7251                 0.8119                 0.7614
 Alpha2 Fr= 1--      0.0142                 0.0053                 0.0103
 Beta2  Fr= 1--      0.5009                 0.6055                 0.5271
 AlphaG Fr= 1--     -0.0044                 0.0289                 0.0747
 Gamma2 Fr= 1--     -2.5374                 2.3810                -0.4549
 Delta2 Fr= 1--     -2.4745                -0.0847                 1.1918
 Raman1 Fr= 1--      16.578                 17.899                 16.614
 ROA1   Fr= 1--    -322.770                225.867                 -5.529
 CID1   Fr= 1--     -19.469                 12.619                 -0.333
 Raman2 Fr= 1--       6.011                  7.266                  6.325
 ROA2   Fr= 1--     -41.101                 57.823                -20.451
 CID2   Fr= 1--      -6.838                  7.958                 -3.233
 Raman3 Fr= 1--      12.021                 14.532                 12.650
 ROA3   Fr= 1--    -322.770                225.867                 -5.529
 CID3   Fr= 1--     -26.850                 15.543                 -0.437
 RC180  Fr= 1--       0.450                  0.624                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--      6.8971                 1.2949                 0.6776
  Dep-P Fr= 1--      0.7428                 0.5083                 0.6531
  Dep-U Fr= 1--      0.8524                 0.6740                 0.7901
 Alpha2 Fr= 1--      0.0008                 0.0061                 0.0012
 Beta2  Fr= 1--      0.9799                 0.1455                 0.0892
 AlphaG Fr= 1--      0.0058                -0.0068                 0.0130
 Gamma2 Fr= 1--     -0.7413                -1.6058                -0.1337
 Delta2 Fr= 1--      0.1141                -0.3497                -0.2937
 Raman1 Fr= 1--      27.588                  5.180                  2.710
 ROA1   Fr= 1--     -67.517               -165.352                -22.230
 CID1   Fr= 1--      -2.447                -31.923                 -8.201
 Raman2 Fr= 1--      11.759                  1.746                  1.071
 ROA2   Fr= 1--     -18.705                -35.743                 -0.858
 CID2   Fr= 1--      -1.591                -20.477                 -0.801
 Raman3 Fr= 1--      23.517                  3.491                  2.142
 ROA3   Fr= 1--     -67.517               -165.352                -22.230
 CID3   Fr= 1--      -2.871                -47.364                -10.380
 RC180  Fr= 1--       0.705                  0.348                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.1896               142.9145                17.9760
  Dep-P Fr= 1--      0.7298                 0.4717                 0.1673
  Dep-U Fr= 1--      0.8438                 0.6410                 0.2866
 Alpha2 Fr= 1--      0.0004                 0.8008                 0.2659
 Beta2  Fr= 1--      0.1673                15.2682                 0.8587
 AlphaG Fr= 1--      0.0103                 0.4138                -0.4938
 Gamma2 Fr= 1--      0.0742                 6.3226                -0.8406
 Delta2 Fr= 1--     -0.1167                 0.5878                 0.8805
 Raman1 Fr= 1--       4.759                571.658                 71.904
 ROA1   Fr= 1--       3.392                625.777                -52.519
 CID1   Fr= 1--       0.713                  1.095                 -0.730
 Raman2 Fr= 1--       2.008                183.219                 10.305
 ROA2   Fr= 1--       2.716                147.039                -27.217
 CID2   Fr= 1--       1.353                  0.803                 -2.641
 Raman3 Fr= 1--       4.015                366.437                 20.610
 ROA3   Fr= 1--       3.392                625.777                -52.519
 CID3   Fr= 1--       0.845                  1.708                 -2.548
 RC180  Fr= 1--       0.688                  0.282                 -0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    149.7461                13.4629                29.9964
  Dep-P Fr= 1--      0.1688                 0.6088                 0.3043
  Dep-U Fr= 1--      0.2888                 0.7569                 0.4666
 Alpha2 Fr= 1--      2.2064                 0.0350                 0.3037
 Beta2  Fr= 1--      7.2084                 1.6982                 2.3329
 AlphaG Fr= 1--      1.1196                 0.1394                -0.2962
 Gamma2 Fr= 1--     10.0616                -6.0453                 0.5495
 Delta2 Fr= 1--      6.2297                -1.3489                -3.4291
 Raman1 Fr= 1--     598.984                 53.852                119.986
 ROA1   Fr= 1--    1165.267               -623.512                -56.983
 CID1   Fr= 1--       1.945                -11.578                 -0.475
 Raman2 Fr= 1--      86.501                 20.379                 27.995
 ROA2   Fr= 1--     191.642               -134.295                 40.619
 CID2   Fr= 1--       2.215                 -6.590                  1.451
 Raman3 Fr= 1--     173.001                 40.758                 55.990
 ROA3   Fr= 1--    1165.267               -623.512                -56.983
 CID3   Fr= 1--       6.736                -15.298                 -1.018
 RC180  Fr= 1--      -0.422                  0.514                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    456.5369               230.6971                29.2082
  Dep-P Fr= 1--      0.0108                 0.0635                 0.7269
  Dep-U Fr= 1--      0.0214                 0.1194                 0.8419
 Alpha2 Fr= 1--      9.8916                 4.4125                 0.0116
 Beta2  Fr= 1--      1.6307                 4.5905                 4.0982
 AlphaG Fr= 1--     -1.4651                -0.4495                -0.1432
 Gamma2 Fr= 1--     -1.6063                -0.2790                -0.5372
 Delta2 Fr= 1--     -0.1388                 3.7815                 1.2881
 Raman1 Fr= 1--    1826.148                922.788                116.833
 ROA1   Fr= 1--    -158.652                 94.224                -10.350
 CID1   Fr= 1--      -0.087                  0.102                 -0.089
 Raman2 Fr= 1--      19.568                 55.086                 49.178
 ROA2   Fr= 1--     -37.442                -36.948                -23.197
 CID2   Fr= 1--      -1.913                 -0.671                 -0.472
 Raman3 Fr= 1--      39.136                110.172                 98.356
 ROA3   Fr= 1--    -158.652                 94.224                -10.350
 CID3   Fr= 1--      -4.054                  0.855                 -0.105
 RC180  Fr= 1--      -0.957                 -0.761                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     69.7429                23.3436               118.1066
  Dep-P Fr= 1--      0.1772                 0.7391                 0.4478
  Dep-U Fr= 1--      0.3011                 0.8500                 0.6186
 Alpha2 Fr= 1--      1.0055                 0.0043                 0.7306
 Beta2  Fr= 1--      3.4994                 3.3069                12.1760
 AlphaG Fr= 1--     -0.4287                -0.0275                -1.1975
 Gamma2 Fr= 1--     -3.1445               -10.4603                 5.5508
 Delta2 Fr= 1--     -2.1744                 3.5434               -16.7033
 Raman1 Fr= 1--     278.972                 93.374                472.427
 ROA1   Fr= 1--    -371.450               -890.802                 -1.631
 CID1   Fr= 1--      -1.331                 -9.540                 -0.003
 Raman2 Fr= 1--      41.993                 39.683                146.111
 ROA2   Fr= 1--     -58.071               -279.394                266.846
 CID2   Fr= 1--      -1.383                 -7.041                  1.826
 Raman3 Fr= 1--      83.987                 79.366                292.223
 ROA3   Fr= 1--    -371.450               -890.802                 -1.631
 CID3   Fr= 1--      -4.423                -11.224                 -0.006
 RC180  Fr= 1--      -0.398                  0.700                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    121.7375                51.6755               103.3913
  Dep-P Fr= 1--      0.6576                 0.7018                 0.6757
  Dep-U Fr= 1--      0.7935                 0.8248                 0.8065
 Alpha2 Fr= 1--      0.2010                 0.0433                 0.1358
 Beta2  Fr= 1--     16.0991                 7.1037                13.8971
 AlphaG Fr= 1--     -0.0566                -0.1713                 0.0903
 Gamma2 Fr= 1--      6.3491                -9.6328                -2.2350
 Delta2 Fr= 1--     11.9223                -1.0854                -3.8258
 Raman1 Fr= 1--     486.950                206.702                413.565
 ROA1   Fr= 1--     991.032               -959.484               -336.985
 CID1   Fr= 1--       2.035                 -4.642                 -0.815
 Raman2 Fr= 1--     193.190                 85.244                166.766
 ROA2   Fr= 1--      57.001               -222.505                -23.033
 CID2   Fr= 1--       0.295                 -2.610                 -0.138
 Raman3 Fr= 1--     386.380                170.489                333.531
 ROA3   Fr= 1--     991.032               -959.484               -336.985
 CID3   Fr= 1--       2.565                 -5.628                 -1.010
 RC180  Fr= 1--       0.587                  0.650                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     26.5401                14.1874               101.6600
  Dep-P Fr= 1--      0.6789                 0.1465                 0.6895
  Dep-U Fr= 1--      0.8088                 0.2556                 0.8163
 Alpha2 Fr= 1--      0.0333                 0.2213                 0.1078
 Beta2  Fr= 1--      3.5775                 0.6044                13.8300
 AlphaG Fr= 1--      0.0047                 0.2113                 0.1375
 Gamma2 Fr= 1--      0.2757                 1.2706                -4.0027
 Delta2 Fr= 1--      1.7507                 0.9044                 1.2774
 Raman1 Fr= 1--     106.160                 56.749                406.640
 ROA1   Fr= 1--      82.487                150.918               -343.383
 CID1   Fr= 1--       0.777                  2.659                 -0.844
 Raman2 Fr= 1--      42.930                  7.253                165.960
 ROA2   Fr= 1--      -7.389                 23.260               -106.285
 CID2   Fr= 1--      -0.172                  3.207                 -0.640
 Raman3 Fr= 1--      85.860                 14.505                331.921
 ROA3   Fr= 1--      82.487                150.918               -343.383
 CID3   Fr= 1--       0.961                 10.404                 -1.035
 RC180  Fr= 1--       0.618                 -0.489                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    115.5826               133.8716               163.9962
  Dep-P Fr= 1--      0.1391                 0.1253                 0.2443
  Dep-U Fr= 1--      0.2442                 0.2227                 0.3927
 Alpha2 Fr= 1--      1.8367                 2.2021                 1.9746
 Beta2  Fr= 1--      4.7042                 4.9680                10.7344
 AlphaG Fr= 1--     -1.0996                 0.0546                -0.1216
 Gamma2 Fr= 1--     -7.1189                 5.1148                -4.8476
 Delta2 Fr= 1--     -3.0549                 1.0561                 0.1439
 Raman1 Fr= 1--     462.330                535.486                655.985
 ROA1   Fr= 1--    -781.171                524.818               -460.769
 CID1   Fr= 1--      -1.690                  0.980                 -0.702
 Raman2 Fr= 1--      56.451                 59.616                128.813
 ROA2   Fr= 1--    -146.414                114.306               -117.495
 CID2   Fr= 1--      -2.594                  1.917                 -0.912
 Raman3 Fr= 1--     112.902                119.232                257.627
 ROA3   Fr= 1--    -781.171                524.818               -460.769
 CID3   Fr= 1--      -6.919                  4.402                 -1.789
 RC180  Fr= 1--      -0.512                 -0.555                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228329D+03  0.885357D+01 -0.412191D+01
      2   0.885357D+01  0.142451D+03  0.676502D+01
      3  -0.412191D+01  0.676502D+01  0.154887D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.699483D+01 -0.218782D+01 -0.638312D+01
      2  -0.415473D+02 -0.169396D+02 -0.382038D+02
      3   0.292358D+02  0.566960D+02  0.945992D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.274135D+03 -0.775342D+02 -0.499167D+02
      2   0.148058D+03  0.707081D+02  0.189639D+01
      3   0.126077D+03  0.682606D+01  0.480204D+02
      4  -0.101860D+02 -0.103224D+03 -0.298222D+02
      5  -0.451146D+02 -0.277997D+02 -0.797707D+02
      6  -0.683312D+01 -0.228654D+02  0.198338D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.930136D+01  0.217159D+01 -0.701557D+00 -0.292775D+00 -0.854865D-01
      2   0.217159D+01 -0.437866D-01  0.406254D+00 -0.854865D-01 -0.359119D+01
      3  -0.701557D+00  0.406254D+00 -0.182443D+01  0.158340D+01 -0.153381D+01
                 6             7             8             9            10 
      1   0.158340D+01 -0.119838D+02 -0.100435D+01  0.296900D+00 -0.316021D+02
      2  -0.153381D+01 -0.100435D+01  0.157037D-01  0.124935D+01 -0.336466D+01
      3   0.102126D+01  0.296900D+00  0.124935D+01 -0.162014D+01 -0.325318D+00
                11            12            13            14            15 
      1  -0.336466D+01 -0.325318D+00 -0.720620D+01 -0.507001D+01  0.126067D+01
      2  -0.182083D+01 -0.757433D+00 -0.507001D+01 -0.291132D+01  0.342473D+00
      3  -0.757433D+00 -0.280576D+01  0.126067D+01  0.342473D+00 -0.838963D+00
                16            17            18            19            20 
      1  -0.113761D+01  0.155386D+01 -0.130575D+01 -0.772661D+01 -0.247334D+01
      2   0.155386D+01  0.616184D+00 -0.129908D+00 -0.247334D+01  0.195025D+01
      3  -0.130575D+01 -0.129908D+00  0.157974D+01  0.187320D+00  0.134354D+01
                21            22            23            24            25 
      1   0.187320D+00 -0.798055D+01  0.122878D-01  0.607233D+00 -0.111412D+02
      2   0.134354D+01  0.122878D-01 -0.144966D+01 -0.171178D+01 -0.261518D+01
      3   0.130535D+01  0.607233D+00 -0.171178D+01  0.194590D+01  0.221569D+00
                26            27            28            29            30 
      1  -0.261518D+01  0.221569D+00  0.283233D+02  0.451539D+01 -0.140458D+01
      2  -0.115040D+01  0.114775D+01  0.451539D+01  0.233520D+01  0.190797D+00
      3   0.114775D+01 -0.225761D+01 -0.140458D+01  0.190797D+00  0.250272D+01
                31            32            33            34            35 
      1   0.409060D+01  0.572890D+01 -0.148139D+01 -0.781657D+00 -0.114120D+01
      2   0.572890D+01  0.216675D+01 -0.623600D+00 -0.114120D+01 -0.164384D+01
      3  -0.148139D+01 -0.623600D+00  0.160813D+01  0.109705D+01  0.390516D+00
                36            37            38            39            40 
      1   0.109705D+01 -0.115848D+02 -0.272190D+01  0.111436D+01 -0.674237D+00
      2   0.390516D+00 -0.272190D+01 -0.733410D-01 -0.450502D+00  0.760671D+00
      3   0.810593D+00  0.111436D+01 -0.450502D+00  0.338463D+01 -0.172787D+01
                41            42            43            44            45 
      1   0.760671D+00 -0.172787D+01  0.135473D+02  0.759899D+00 -0.145432D+01
      2   0.382551D+01  0.187287D+01  0.759899D+00  0.623262D+00 -0.140837D+01
      3   0.187287D+01 -0.103732D+01 -0.145432D+01 -0.140837D+01  0.126350D+01
                46            47            48            49            50 
      1   0.990280D+01  0.242172D+01 -0.588919D+00  0.104925D+02 -0.662357D+00
      2   0.242172D+01 -0.175535D+01 -0.137210D+01 -0.662357D+00  0.114574D+01
      3  -0.588919D+00 -0.137210D+01 -0.214300D+01 -0.275276D+00  0.212447D+01
                51            52            53            54            55 
      1  -0.275276D+00  0.106079D+02  0.237653D+01  0.116641D+01  0.182289D+02
      2   0.212447D+01  0.237653D+01  0.126765D+01 -0.121158D+01 -0.109457D+00
      3  -0.310601D+01  0.116641D+01 -0.121158D+01  0.149377D+01  0.975154D+00
                56            57            58            59            60 
      1  -0.109457D+00  0.975154D+00 -0.366707D+01  0.428471D+01 -0.108852D+01
      2   0.145991D+01 -0.522735D+00  0.428471D+01  0.592446D+01  0.164757D+01
      3  -0.522735D+00  0.205675D+01 -0.108852D+01  0.164757D+01  0.232611D+00
                61            62            63            64            65 
      1   0.756159D+01 -0.656024D+00  0.389973D+01 -0.457714D+01  0.392321D+01
      2  -0.656024D+00  0.264013D+01  0.115535D+01  0.392321D+01 -0.878917D+00
      3   0.389973D+01  0.115535D+01 -0.482992D+01  0.336560D+00  0.121261D+01
                66            67            68            69            70 
      1   0.336560D+00  0.123029D+02 -0.181916D+01  0.215202D+01 -0.578429D+01
      2   0.121261D+01 -0.181916D+01 -0.435726D+01 -0.165460D+01  0.100752D+01
      3  -0.327589D+01  0.215202D+01 -0.165460D+01  0.339515D+00 -0.506416D+01
                71            72            73            74            75 
      1   0.100752D+01 -0.506416D+01 -0.322636D+01 -0.470206D+01  0.681120D+00
      2  -0.238774D+01  0.491105D-01 -0.470206D+01  0.985416D+00 -0.134623D+01
      3   0.491105D-01  0.637833D+01  0.681120D+00 -0.134623D+01  0.298816D+01
                76            77            78            79            80 
      1  -0.620483D+01  0.129311D+01 -0.173549D+01  0.161702D+01 -0.157791D+01
      2   0.129311D+01  0.150250D+01  0.237505D+01 -0.157791D+01  0.327799D+01
      3  -0.173549D+01  0.237505D+01 -0.116258D+01  0.410111D+01 -0.181004D+01
                81            82            83            84            85 
      1   0.410111D+01 -0.171125D+01 -0.379744D+01 -0.394302D-01 -0.619181D+01
      2  -0.181004D+01 -0.379744D+01  0.801709D+00 -0.171567D+01  0.231414D+01
      3  -0.449495D+01 -0.394302D-01 -0.171567D+01  0.357542D+01 -0.216944D+01
                86            87            88            89            90 
      1   0.231414D+01 -0.216944D+01  0.116165D+01 -0.182047D+01  0.526252D+01
      2   0.503226D+01  0.341910D+01 -0.182047D+01  0.337029D+01  0.322310D+00
      3   0.341910D+01 -0.226739D+00  0.526252D+01  0.322310D+00 -0.326812D+01
                91            92            93            94            95 
      1  -0.560201D+01  0.368898D-01 -0.553200D+00  0.386129D+01 -0.575507D+01
      2   0.368898D-01 -0.228322D+01  0.480284D+00 -0.575507D+01 -0.343862D+00
      3  -0.553200D+00  0.480284D+00 -0.123870D+01  0.105759D+01  0.983508D+00
                96            97            98            99           100 
      1   0.105759D+01  0.220966D+01  0.178126D+01 -0.210985D+01 -0.224390D+01
      2   0.983508D+00  0.178126D+01  0.261849D+01 -0.310037D+01 -0.737470D-01
      3  -0.255153D+01 -0.210985D+01 -0.310037D+01 -0.321514D+01  0.174349D+01
               101           102           103           104           105 
      1  -0.737470D-01  0.174349D+01 -0.927356D+00  0.219540D+01 -0.270373D+00
      2   0.145502D+01  0.381837D-01  0.219540D+01 -0.243252D+01 -0.431135D+00
      3   0.381837D-01 -0.122143D+01 -0.270373D+00 -0.431135D+00  0.221927D+01
               106           107           108           109           110 
      1   0.458579D+01 -0.256502D+01 -0.252705D+01  0.484038D+01 -0.120888D+01
      2  -0.256502D+01  0.159381D+01  0.247824D+01 -0.120888D+01  0.532993D+00
      3  -0.252705D+01  0.247824D+01  0.310390D+01 -0.376819D+01  0.196003D+00
               111           112           113           114           115 
      1  -0.376819D+01 -0.273112D+01  0.151881D+01  0.785625D+00 -0.957134D+01
      2   0.196003D+00  0.151881D+01 -0.148824D+01 -0.200511D+01  0.218091D+01
      3   0.235726D+01  0.785625D+00 -0.200511D+01 -0.201423D+01  0.420945D+01
               116           117           118           119           120 
      1   0.218091D+01  0.420945D+01 -0.692667D+00  0.183143D+01  0.147131D+01
      2  -0.361941D+01 -0.153728D+01  0.183143D+01 -0.330448D+01  0.285213D+00
      3  -0.153728D+01 -0.863772D+01  0.147131D+01  0.285213D+00  0.159055D+00
               121           122           123           124           125 
      1   0.250478D+01 -0.344367D+01  0.293909D+00  0.493415D+01 -0.999962D+00
      2  -0.344367D+01  0.369493D+01  0.107507D+01 -0.999962D+00  0.194234D+01
      3   0.293909D+00  0.107507D+01 -0.233317D+00  0.221445D+01 -0.216291D+01
               126           127           128           129           130 
      1   0.221445D+01 -0.208925D+01 -0.113527D+01 -0.159688D+01 -0.174796D+01
      2  -0.216291D+01 -0.113527D+01 -0.103750D+01 -0.107612D+01 -0.912919D+00
      3   0.474396D+01 -0.159688D+01 -0.107612D+01 -0.145238D+01 -0.156474D+01
               131           132           133           134           135 
      1  -0.912919D+00 -0.156474D+01 -0.204038D+01 -0.118317D+01 -0.206391D+01
      2  -0.157385D+01 -0.165765D+01 -0.118317D+01 -0.236599D+01 -0.276561D+01
      3  -0.165765D+01 -0.276708D+01 -0.206391D+01 -0.276561D+01 -0.538575D+01
               136           137           138           139           140 
      1   0.367293D+01 -0.250002D+00 -0.202068D+01 -0.573311D+00  0.225788D+00
      2  -0.250002D+00  0.525923D+00  0.235977D+00  0.225788D+00 -0.498356D+00
      3  -0.202068D+01  0.235977D+00  0.206500D+01  0.597822D+00 -0.501875D+00
               141           142           143           144           145 
      1   0.597822D+00 -0.284913D+01  0.728313D+00  0.276538D+01  0.214262D+01
      2  -0.501875D+00  0.728313D+00 -0.111219D+01 -0.114290D+01  0.129077D+01
      3  -0.154680D+01  0.276538D+01 -0.114290D+01 -0.512863D+01  0.179377D+01
               146           147           148           149           150 
      1   0.129077D+01  0.179377D+01  0.135508D+01  0.781150D+00  0.149816D+01
      2   0.102170D+01  0.112144D+01  0.781150D+00  0.115205D+01  0.153501D+01
      3   0.112144D+01  0.189924D+01  0.149816D+01  0.153501D+01  0.299210D+01
               151           152           153           154           155 
      1   0.192782D+01  0.118720D+01  0.227825D+01 -0.319935D+01  0.286524D+00
      2   0.118720D+01  0.220283D+01  0.272390D+01  0.286524D+00 -0.344744D+00
      3   0.227825D+01  0.272390D+01  0.637397D+01  0.255742D+01 -0.215829D+00
               156           157           158           159           160 
      1   0.255742D+01  0.273230D+00 -0.208146D+00 -0.452968D+00  0.314793D+01
      2  -0.215829D+00 -0.208146D+00  0.316591D+00  0.483662D+00 -0.708206D+00
      3  -0.306943D+01 -0.452968D+00  0.483662D+00  0.161583D+01 -0.331366D+01
               161           162           163           164           165 
      1  -0.708206D+00 -0.331366D+01 -0.233859D+01 -0.911660D-01  0.158367D+01
      2   0.100077D+01  0.110363D+01 -0.911660D-01 -0.759745D+00  0.616198D+00
      3   0.110363D+01  0.665702D+01  0.158367D+01  0.616198D+00 -0.180496D+01
               166           167           168           169           170 
      1   0.187210D+01 -0.648685D+00  0.204059D+00  0.411126D+01  0.806764D+00
      2  -0.648685D+00 -0.909403D+00  0.678373D+00  0.806764D+00  0.135676D+01
      3   0.204059D+00  0.678373D+00 -0.862129D-01 -0.221702D+01 -0.152700D+01
               171           172           173           174           175 
      1  -0.221702D+01 -0.189656D+01 -0.122419D+01 -0.593799D+00 -0.373722D+01
      2  -0.152700D+01 -0.122419D+01 -0.940499D+00  0.387824D-01 -0.281424D+01
      3   0.582959D+01 -0.593799D+00  0.387824D-01 -0.256940D+00 -0.335235D+00
               176           177           178           179           180 
      1  -0.281424D+01 -0.335235D+00 -0.483915D+01 -0.964010D+00 -0.114743D+01
      2  -0.850497D+01 -0.974066D+00 -0.964010D+00 -0.244321D+01 -0.126496D+01
      3  -0.974066D+00 -0.945521D+00 -0.114743D+01 -0.126496D+01 -0.419636D+00
               181           182           183           184           185 
      1   0.226650D+01 -0.766844D+00 -0.118419D+01 -0.160819D+01  0.197474D+00
      2  -0.766844D+00  0.504707D+00 -0.264005D+00  0.197474D+00  0.560014D+00
      3  -0.118419D+01 -0.264005D+00  0.148973D+01 -0.193937D+00 -0.643878D+00
               186           187           188           189           190 
      1  -0.193937D+00 -0.250174D+01 -0.204659D+00  0.970885D+00 -0.138492D+01
      2  -0.643878D+00 -0.204659D+00 -0.114966D+01  0.184985D-01  0.944313D+00
      3   0.135402D+00  0.970885D+00  0.184985D-01 -0.684971D+01  0.132014D+01
               191           192           193           194           195 
      1   0.944313D+00  0.132014D+01  0.399805D+00 -0.494390D+00  0.474197D-01
      2  -0.972817D+00 -0.307523D+00 -0.494390D+00  0.435496D+00  0.548645D+00
      3  -0.307523D+00 -0.195103D+01  0.474197D-01  0.548645D+00  0.238713D+00
               196           197           198           199           200 
      1   0.265297D+01 -0.697867D+00 -0.229019D+01 -0.404064D+01  0.317927D+01
      2  -0.697867D+00  0.189233D+01  0.156016D+01  0.317927D+01 -0.308763D+01
      3  -0.229019D+01  0.156016D+01  0.611129D+01 -0.145343D+01  0.106162D+01
               201           202           203           204           205 
      1  -0.145343D+01  0.296464D+01 -0.302935D+01  0.121001D+01 -0.294142D+01
      2   0.106162D+01 -0.302935D+01  0.440140D+01 -0.178759D+01  0.198305D+01
      3  -0.149533D+01  0.121001D+01 -0.178759D+01  0.137758D+01 -0.198542D+01
               206           207           208           209           210 
      1   0.198305D+01 -0.198542D+01  0.797397D+01  0.156598D+01  0.231412D+00
      2  -0.314166D+01  0.183968D+01  0.156598D+01  0.288196D+01  0.133354D+00
      3   0.183968D+01 -0.167413D+01  0.231412D+00  0.133354D+00  0.522665D+00
               211           212           213           214           215 
      1   0.159170D+01  0.149368D+01  0.133208D+00  0.400571D+00  0.573666D-02
      2   0.149368D+01  0.209024D+01 -0.138869D+00  0.573666D-02 -0.341325D+00
      3   0.133208D+00 -0.138869D+00  0.638872D+00  0.243258D-01  0.686508D+00
               216           217           218           219           220 
      1   0.243258D-01 -0.309309D+01 -0.131523D+00  0.167245D+01  0.386977D+00
      2   0.686508D+00 -0.131523D+00 -0.636067D+00  0.364539D+00 -0.960712D+00
      3   0.368130D+00  0.167245D+01  0.364539D+00 -0.197876D+01  0.276029D+00
               221           222           223           224           225 
      1  -0.960712D+00  0.276029D+00  0.499440D+01  0.989132D+00 -0.329625D+01
      2  -0.776856D+00  0.372473D+00  0.989132D+00  0.127177D+01 -0.650475D+00
      3   0.372473D+00 -0.170125D+00 -0.329625D+01 -0.650475D+00  0.523866D+01
               226           227           228           229           230 
      1  -0.202354D+00 -0.699794D+00 -0.331606D+00 -0.280389D+01 -0.262010D+01
      2  -0.699794D+00 -0.396218D+00 -0.391442D-01 -0.262010D+01 -0.770956D+01
      3  -0.331606D+00 -0.391442D-01 -0.399871D+00 -0.788873D+00 -0.245722D+01
               231           232           233           234           235 
      1  -0.788873D+00 -0.130409D+01 -0.655505D+00 -0.132720D+01 -0.645836D+01
      2  -0.245722D+01 -0.655505D+00 -0.264890D+01 -0.163654D+01  0.183083D+01
      3  -0.191028D+01 -0.132720D+01 -0.163654D+01 -0.135638D+01 -0.252445D+01
               236           237           238           239           240 
      1   0.183083D+01 -0.252445D+01  0.538402D+01 -0.202909D+01  0.191609D+01
      2  -0.134890D+01  0.910606D+00 -0.202909D+01  0.159066D+01 -0.138921D+01
      3   0.910606D+00 -0.209264D+01  0.191609D+01 -0.138921D+01  0.165867D+01
               241           242           243           244           245 
      1  -0.461913D+01  0.107857D+01 -0.327671D+01 -0.153879D+00  0.291698D+00
      2   0.107857D+01 -0.163569D+01  0.902362D+00  0.291698D+00  0.753401D+00
      3  -0.327671D+01  0.902362D+00 -0.247352D+01  0.163293D+01  0.326810D+00
               246           247           248           249           250 
      1   0.163293D+01  0.512194D+00  0.130817D+01  0.475656D+00  0.317144D+01
      2   0.326810D+00  0.130817D+01  0.175178D+01  0.116015D+01  0.724718D+00
      3   0.104556D+01  0.475656D+00  0.116015D+01  0.175974D+01  0.162769D+01
               251           252           253           254           255 
      1   0.724718D+00  0.162769D+01 -0.778768D+01 -0.552600D+01  0.839301D+00
      2   0.185418D+01  0.168134D+01 -0.552600D+01  0.172769D+01  0.422215D+00
      3   0.168134D+01  0.512122D+01  0.839301D+00  0.422215D+00  0.898883D+00
               256           257           258           259           260 
      1  -0.190938D+01  0.328536D+01 -0.561322D+00 -0.325552D+01 -0.997032D+00
      2   0.328536D+01 -0.733794D+00 -0.185972D+01 -0.997032D+00 -0.314172D+01
      3  -0.561322D+00 -0.185972D+01  0.268867D+01  0.219375D+01  0.249376D+01
               261           262           263           264           265 
      1   0.219375D+01  0.413432D+01 -0.324826D+01  0.110113D+01 -0.427875D+01
      2   0.249376D+01 -0.324826D+01  0.333738D+01 -0.744115D+00  0.464874D+01
      3   0.275595D+01  0.110113D+01 -0.744115D+00  0.103291D+01 -0.103228D+01
               266           267           268           269           270 
      1   0.464874D+01 -0.103228D+01 -0.983028D+00  0.101356D+01  0.426368D+00
      2  -0.658133D+01  0.131763D+01  0.101356D+01 -0.111021D+01 -0.446545D+00
      3   0.131763D+01 -0.155594D+01  0.426368D+00 -0.446545D+00  0.478214D+00
               271           272           273           274           275 
      1  -0.145730D+01  0.191821D+01  0.110289D+00  0.198867D+01 -0.142068D+01
      2   0.191821D+01 -0.365218D+01  0.305633D+00 -0.142068D+01  0.657327D+01
      3   0.110289D+00  0.305633D+00 -0.830977D+00 -0.624276D-01 -0.742898D-01
               276           277           278           279           280 
      1  -0.624276D-01  0.875175D+00 -0.163850D-02 -0.424521D+00  0.259167D+00
      2  -0.742898D-01 -0.163850D-02  0.155532D+01  0.457566D+00  0.174122D+00
      3   0.766366D+00 -0.424521D+00  0.457566D+00 -0.326896D-02 -0.690235D+00
               281           282           283           284           285 
      1   0.174122D+00 -0.690235D+00 -0.803462D+00 -0.523488D+00  0.101697D+00
      2  -0.518536D+00  0.114884D+00 -0.523488D+00 -0.784497D+00 -0.164227D+00
      3   0.114884D+00 -0.813307D+00  0.101697D+00 -0.164227D+00 -0.131143D+01
               286           287           288           289           290 
      1  -0.181085D+01 -0.398309D+00  0.815982D-01  0.120225D+02  0.514258D+01
      2  -0.398309D+00 -0.158952D+01  0.153400D+00  0.514258D+01  0.358148D+01
      3   0.815982D-01  0.153400D+00 -0.617839D+01 -0.157535D+01 -0.993536D+00
               291           292           293           294           295 
      1  -0.157535D+01  0.335762D+01  0.244918D+01 -0.460463D+00  0.377849D-01
      2  -0.993536D+00  0.244918D+01  0.248301D+01 -0.327415D+00  0.134746D-01
      3   0.137148D+01 -0.460463D+00 -0.327415D+00  0.225450D+00  0.965996D+00
               296           297 
      1   0.134746D-01  0.965996D+00
      2   0.381660D+00  0.381044D+00
      3   0.381044D+00 -0.514854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.191808D+01  0.656241D+00 -0.264427D+01  0.587542D+01  0.919825D+00
      2  -0.143223D+02  0.194510D+01  0.804714D+01  0.438205D+01 -0.520443D+00
      3  -0.299061D+01 -0.340384D+01 -0.365794D+01  0.130119D+02 -0.156932D+00
                 6             7             8             9            10 
      1  -0.273969D+01 -0.491809D+01  0.225598D+01  0.799194D+00 -0.547476D+01
      2  -0.921222D+00  0.431391D+01 -0.132392D+01 -0.444497D+01  0.187895D+02
      3  -0.347795D+01 -0.218638D+01  0.114878D+01  0.461532D+01  0.186514D+01
                11            12            13            14            15 
      1   0.621695D+00  0.189951D+01  0.928093D+00 -0.507632D+01 -0.757386D+01
      2   0.180288D+01 -0.343070D+01 -0.357707D+00  0.160542D+01 -0.199769D+01
      3   0.192378D+01  0.636523D+00  0.127360D+02 -0.268529D+00 -0.107007D+01
                16            17            18            19            20 
      1   0.881190D+01  0.535435D-01  0.420114D+01 -0.739982D+00 -0.801167D+00
      2  -0.231961D+02 -0.195738D+01  0.282474D+01  0.920214D+01  0.276718D+01
      3   0.614167D+01 -0.155026D+01 -0.361182D+01 -0.484706D+01 -0.151584D+01
                21            22            23            24            25 
      1   0.799621D+00 -0.725023D+01 -0.384982D+01 -0.213375D+01  0.121300D+01
      2   0.505331D+01  0.821668D+01  0.364888D+01  0.190916D+01  0.318262D+01
      3  -0.484675D+00  0.111484D+02  0.276901D+01  0.234837D+01 -0.612092D+01
                26            27            28            29            30 
      1   0.230634D+01 -0.183661D+01  0.278113D+01  0.273641D+01  0.418719D+01
      2   0.179447D+01  0.188723D+01 -0.159375D+02 -0.387728D+01 -0.160226D+01
      3  -0.712095D+00 -0.200293D+01 -0.267495D+01  0.222205D+00  0.143212D+01
                31            32            33            34            35 
      1   0.659636D+01 -0.167807D+01 -0.806855D+01  0.621395D+01  0.128057D+00
      2  -0.692276D+01 -0.519744D+01 -0.231092D+01 -0.246756D+02 -0.243151D+01
      3   0.100744D+02  0.503871D+01 -0.203457D+00  0.315937D+01  0.297785D+01
                36            37            38            39            40 
      1   0.384368D+01 -0.396260D+01 -0.293908D-01 -0.103141D+01  0.436700D+01
      2   0.268589D+01  0.595195D+01  0.476214D+01  0.445968D+01  0.464464D+01
      3  -0.304781D+01 -0.177055D+01 -0.270969D+01 -0.314722D+01  0.977344D+01
                41            42            43            44            45 
      1   0.394238D+01 -0.838788D+00 -0.440160D+00  0.237473D+01  0.235903D+00
      2   0.612597D+00 -0.103966D+00 -0.128842D+02 -0.288821D+01 -0.399950D+00
      3  -0.828233D+00 -0.386044D+01  0.187520D+01 -0.138666D+01  0.335144D+01
                46            47            48            49            50 
      1   0.497181D+01 -0.216940D+01 -0.872870D+00 -0.688408D+01 -0.104443D+01
      2  -0.735415D+01 -0.207540D+01  0.398786D+01 -0.487204D+01  0.627045D+00
      3  -0.428600D+01 -0.145144D+01 -0.358037D+00  0.982387D+01  0.238281D+01
                51            52            53            54            55 
      1  -0.200610D+01  0.476125D+01  0.341658D+01 -0.642660D+00  0.479104D+01
      2   0.257694D+01 -0.100839D+02 -0.129096D+01  0.525885D-01 -0.861082D+01
      3   0.361550D+01 -0.673240D+01  0.649828D+00 -0.164597D+01 -0.110378D+02
                56            57            58            59            60 
      1  -0.138342D+01  0.107410D+01 -0.359442D+01  0.685357D+01 -0.110507D+01
      2   0.110549D+01 -0.267994D+01  0.336995D+01 -0.971343D+01 -0.884127D+00
      3   0.230326D+01 -0.209298D+01  0.247350D+02  0.153835D+02  0.705120D+01
                61            62            63            64            65 
      1   0.470056D+01  0.357877D+01 -0.603992D+01 -0.493105D+01  0.454550D+00
      2  -0.251576D+02 -0.371049D+01  0.178370D+02  0.321161D+01 -0.365501D+01
      3  -0.809947D+01  0.860544D+01 -0.145682D+01  0.231704D+02 -0.768651D+01
                66            67            68            69            70 
      1  -0.224652D+00  0.718967D+00  0.953750D+00 -0.180139D+01 -0.400625D+01
      2   0.172527D+02 -0.101367D+02  0.856561D+01  0.578090D+00  0.201964D+02
      3   0.549898D+01 -0.833318D+01 -0.165946D+02 -0.747120D+01  0.104114D+02
                71            72            73            74            75 
      1   0.470532D+01 -0.396648D+00 -0.409817D+00  0.310647D+01 -0.600862D+01
      2  -0.500622D+00 -0.314761D+02 -0.167466D+01  0.723186D+01 -0.101592D+02
      3  -0.926208D+01  0.234773D+01 -0.288856D+02 -0.861060D+01 -0.515055D+01
                76            77            78            79            80 
      1   0.380871D+01 -0.712485D+01  0.100037D+01 -0.818218D+01  0.638537D+01
      2   0.939765D+01 -0.941196D+01  0.520939D+01 -0.187787D+02  0.770776D+01
      3  -0.267125D+01  0.688875D+01  0.657699D+01 -0.615554D+01  0.930499D+01
                81            82            83            84            85 
      1   0.841725D+01  0.219706D+01 -0.125632D+01  0.358579D+01 -0.242618D+01
      2   0.182316D+02 -0.208912D+01  0.748425D+01 -0.188938D+02  0.960105D+01
      3  -0.200345D+01 -0.199910D+02  0.587043D+01 -0.967783D+01  0.221773D+02
                86            87            88            89            90 
      1  -0.149502D-01 -0.329058D+01  0.531670D+01  0.145010D+00 -0.191542D+01
      2  -0.194037D+02 -0.141460D+01 -0.341367D+02 -0.360472D+01  0.207737D+02
      3   0.286544D+02  0.218144D+02 -0.104522D+02  0.203952D+02 -0.219086D+01
                91            92            93            94            95 
      1  -0.202860D+01 -0.762143D+00  0.234184D+01  0.141013D+01 -0.123024D+00
      2   0.134090D+01  0.149382D+01  0.869852D+00  0.169415D+01  0.542741D+01
      3  -0.120338D+02  0.155565D+01 -0.113634D+01  0.321971D+02 -0.267943D+01
                96            97            98            99           100 
      1  -0.115229D+01  0.505385D+01  0.742763D+01  0.251348D+01  0.228485D+01
      2  -0.965158D+01 -0.153957D+02 -0.107836D+02 -0.114671D+02  0.104344D+00
      3  -0.369477D+01 -0.192615D+01 -0.613105D+01  0.806164D+01  0.238259D+02
               101           102           103           104           105 
      1   0.344314D+01 -0.672286D+01 -0.113770D+01  0.998805D+00 -0.335514D+01
      2  -0.937791D-01 -0.742478D+00  0.896177D+00 -0.306193D+01  0.174569D+02
      3  -0.106028D+02  0.196592D+01 -0.215269D+01 -0.506571D+01  0.415519D+00
               106           107           108           109           110 
      1  -0.314736D+01 -0.708715D+01  0.202277D+01 -0.194200D+01 -0.353910D+01
      2  -0.695285D+01  0.924173D+01  0.169695D+02 -0.106301D+02  0.419106D+00
      3   0.114334D+02 -0.961996D+01 -0.849752D+01 -0.205497D+01 -0.478743D+01
               111           112           113           114           115 
      1   0.330201D+01 -0.104585D+01  0.126563D+01 -0.350726D+01 -0.114934D+00
      2   0.116460D+02 -0.144971D+01 -0.740447D+01 -0.111719D+02  0.550178D+01
      3  -0.206924D+00 -0.510216D+01  0.956360D+01  0.829948D+01 -0.109906D+02
               116           117           118           119           120 
      1   0.915222D+01 -0.631167D+01  0.270242D+01 -0.730253D+00  0.347327D+00
      2  -0.435525D+01 -0.365379D+02  0.629379D+01 -0.354122D+00  0.259241D+01
      3   0.156988D+02  0.694110D+01 -0.891843D+01  0.936027D+01 -0.287512D+01
               121           122           123           124           125 
      1  -0.128190D+01  0.198667D+01 -0.175075D+01 -0.286471D+01  0.762243D+01
      2   0.223213D+01  0.668348D+01 -0.243682D+01  0.102989D+01 -0.592670D+01
      3   0.115027D+02 -0.990704D+01 -0.448426D+01  0.270569D+01 -0.809815D+01
               126           127           128           129           130 
      1   0.483138D+01 -0.552040D+00  0.137958D+01 -0.528839D+00 -0.870693D+00
      2   0.191369D+02 -0.424235D+01 -0.457697D+00 -0.270014D+00 -0.196673D+01
      3   0.701867D+01  0.242029D+01 -0.301315D+00  0.495434D+00  0.336169D+01
               131           132           133           134           135 
      1   0.459216D+00 -0.337427D+01 -0.965992D+00  0.247607D+01 -0.255820D+01
      2   0.193353D+00  0.628201D+00 -0.352035D+01  0.447354D+00  0.212278D+01
      3  -0.103783D+01  0.151912D+00  0.200938D+01 -0.183902D+01 -0.338973D+00
               136           137           138           139           140 
      1  -0.122887D+01 -0.200886D+01  0.184290D+01 -0.243024D+00  0.817618D-01
      2   0.696816D+01 -0.292239D+00 -0.676532D+00  0.885064D+00  0.257758D+00
      3  -0.313228D+01 -0.940846D+00  0.120740D+01  0.824396D+00  0.685798D+00
               141           142           143           144           145 
      1  -0.170693D+01  0.763449D+00  0.328682D+01 -0.114892D+01  0.145985D+01
      2  -0.893243D+00 -0.509556D+01  0.192013D+00 -0.137374D+01 -0.488626D+01
      3  -0.282442D+00  0.162409D+01  0.181939D+01 -0.101110D+01  0.783220D+00
               146           147           148           149           150 
      1   0.255324D+01  0.463582D+00  0.198146D+00  0.146029D+01 -0.166263D+01
      2  -0.140917D+01 -0.719492D+00 -0.296336D+01 -0.625387D+00 -0.380568D+00
      3  -0.824831D+00 -0.726141D-01  0.211513D+01 -0.678337D+00 -0.227943D+00
               151           152           153           154           155 
      1   0.688347D+00  0.460131D+01  0.219461D+00  0.194329D+00 -0.229221D+01
      2  -0.422037D+01 -0.532599D+00  0.726926D+00  0.634311D+01 -0.451683D+00
      3   0.758625D+00 -0.233224D+01 -0.919393D+00 -0.112909D+01 -0.133661D+01
               156           157           158           159           160 
      1   0.661581D+00  0.237538D+00  0.592225D+00 -0.116690D+01 -0.137802D+01
      2  -0.508031D+00  0.463682D+00  0.288087D-01 -0.100804D+01 -0.565196D+01
      3   0.462259D+00  0.160781D+01  0.427987D+00  0.142709D+00  0.600105D-01
               161           162           163           164           165 
      1   0.414711D+01  0.121199D+01  0.182048D+01 -0.414675D+00 -0.197165D+01
      2   0.487300D+00 -0.116497D+01 -0.455600D+01 -0.208932D+01  0.699478D+01
      3   0.201568D+01 -0.517823D+00  0.273067D+01 -0.343145D+01  0.150913D+00
               166           167           168           169           170 
      1   0.784423D+00  0.167168D+00 -0.113426D+01 -0.188987D+01  0.174752D+01
      2  -0.208824D+01 -0.127546D+01 -0.170700D+00  0.616952D+00  0.408339D+01
      3  -0.108265D+01 -0.208260D+01  0.138198D+01 -0.189504D+01  0.416013D+01
               171           172           173           174           175 
      1   0.716757D+01 -0.119512D+01 -0.262334D+00 -0.100643D+01 -0.138805D+01
      2  -0.181882D+02  0.402455D+01  0.696873D+00  0.254489D+01  0.289532D+01
      3  -0.128454D+01 -0.145923D+01 -0.290244D+01  0.417059D+00 -0.153400D+01
               176           177           178           179           180 
      1  -0.479402D+01 -0.437573D+01 -0.196179D+01 -0.169330D+01 -0.134612D+01
      2   0.621305D+01  0.378912D+01  0.398879D+01  0.453916D+01  0.104492D+01
      3  -0.234094D+02 -0.215814D+01  0.187481D+01 -0.719729D+01 -0.226460D+01
               181           182           183           184           185 
      1   0.191461D+01 -0.131316D+01  0.108414D+00 -0.389269D+00 -0.666987D+00
      2   0.101780D+02  0.230378D+00 -0.682848D+01 -0.643847D+00  0.298841D+01
      3  -0.333706D+01  0.136203D+01 -0.673339D+00  0.335828D+01  0.224054D+01
               186           187           188           189           190 
      1  -0.833031D+00 -0.400716D+00  0.333012D+01  0.374896D+00 -0.258575D+01
      2  -0.370830D+00 -0.109222D+02 -0.606921D-01  0.286756D+02 -0.481614D+01
      3  -0.242305D+01 -0.554311D+00 -0.381844D+01  0.201893D+00  0.249579D+01
               191           192           193           194           195 
      1  -0.315469D+00  0.401385D+01  0.106689D+00 -0.103398D+01 -0.184187D+01
      2   0.121910D+01  0.842423D+01 -0.231131D+00 -0.178906D+01 -0.486082D+00
      3  -0.372693D+01  0.420669D+00  0.142195D+00  0.721280D+00  0.170481D+01
               196           197           198           199           200 
      1   0.412102D+01  0.609795D+00 -0.121192D+02  0.267242D+01 -0.156445D+01
      2   0.462863D+01 -0.582333D+01 -0.246487D+02  0.591512D+01 -0.464078D+01
      3   0.186962D+01  0.785949D+01  0.323034D+01  0.611003D+01 -0.989701D+01
               201           202           203           204           205 
      1   0.449232D+01 -0.315214D+01  0.289650D+01 -0.447003D+01  0.391288D+01
      2   0.796773D+01 -0.481085D+01  0.761452D+01 -0.693231D+01  0.692034D+01
      3   0.198922D+01 -0.399443D+01  0.140401D+02 -0.484303D+01  0.258782D+01
               206           207           208           209           210 
      1  -0.152282D+01  0.383456D+01 -0.190157D+01 -0.167196D+00 -0.237559D+01
      2  -0.762654D+01  0.730008D+01 -0.269736D+01 -0.791434D+00 -0.102036D+01
      3  -0.107626D+02  0.453395D+01  0.263727D+02  0.127517D+02  0.133715D+01
               211           212           213           214           215 
      1  -0.780254D+00  0.442895D+00 -0.200776D+01 -0.161725D+01  0.306167D+00
      2  -0.110131D+01  0.310979D+00 -0.113334D+01 -0.346223D+01 -0.208151D+01
      3   0.121308D+02  0.960926D+01 -0.190357D+00  0.161823D+01 -0.108486D+01
               216           217           218           219           220 
      1  -0.112185D+01  0.139748D+01 -0.755547D-01 -0.190082D+01  0.613747D+00
      2  -0.151205D+01 -0.107896D+02 -0.223748D+01  0.134890D+02 -0.165639D+01
      3   0.284162D+01  0.135190D+01 -0.464061D+01  0.775066D+00 -0.369922D+01
               221           222           223           224           225 
      1   0.417403D+00 -0.122381D+01 -0.230537D+01  0.171696D+01  0.408864D+01
      2  -0.220276D+01  0.129795D+01  0.169448D+02  0.373775D+01 -0.321869D+02
      3  -0.348816D+01  0.144152D+01  0.164106D+01  0.744761D+01 -0.884525D+00
               226           227           228           229           230 
      1   0.397444D+00  0.277936D+00 -0.336902D+00  0.726468D+00  0.350708D+01
      2   0.219613D+01 -0.198156D+00  0.247660D+01  0.184587D+01  0.127125D+02
      3  -0.432179D+01 -0.277941D+01 -0.139398D+00 -0.815280D+01 -0.406029D+02
               231           232           233           234           235 
      1  -0.278419D+01 -0.563419D+00  0.164120D+01 -0.677024D+00 -0.280721D+01
      2   0.109051D+02  0.478023D+01  0.857698D+01  0.640004D+01  0.969105D+01
      3  -0.129053D+02 -0.186222D+01 -0.145012D+02 -0.761886D+01  0.136703D+02
               236           237           238           239           240 
      1   0.223266D+01 -0.133116D+01  0.212674D+01 -0.267974D+01  0.631540D+00
      2  -0.396946D+01  0.128279D+02 -0.710701D+01  0.685334D+01 -0.929089D+01
      3  -0.112310D+02  0.680020D+01 -0.122692D+02  0.111244D+02 -0.888767D+01
               241           242           243           244           245 
      1  -0.222166D+01  0.333196D+01 -0.137127D+01 -0.187567D+01 -0.116584D-01
      2   0.139092D+02 -0.444943D+01  0.124904D+02  0.598784D+01  0.141759D+01
      3   0.832605D+01 -0.111708D+02  0.698755D+01 -0.105268D+01 -0.290266D+01
               246           247           248           249           250 
      1  -0.118694D+01 -0.530491D+00 -0.717514D-01 -0.253769D+01 -0.110947D+01
      2   0.339460D+01  0.119508D+01  0.298056D+01  0.570664D+01 -0.258733D+00
      3   0.200218D+00 -0.175632D+01 -0.406023D+01 -0.291516D+01  0.514923D+00
               251           252           253           254           255 
      1   0.154948D+01 -0.502303D+01  0.344433D+01 -0.357217D+01 -0.436728D+01
      2   0.487605D+01  0.158529D+02 -0.577811D+01 -0.467934D+01  0.720270D+01
      3  -0.472729D+01 -0.403285D+01  0.234439D+01 -0.195635D+02 -0.460963D-01
               256           257           258           259           260 
      1  -0.917345D+00  0.697026D+01 -0.640982D+01 -0.453423D+01 -0.116263D+01
      2  -0.641473D+01 -0.519781D+01  0.966978D+01  0.786960D+01  0.988662D+01
      3  -0.159154D+02  0.758490D+01  0.627788D+01  0.757295D+00  0.950664D+01
               261           262           263           264           265 
      1  -0.112443D+02 -0.196455D+01  0.253472D+01  0.145014D+01  0.357819D+01
      2   0.117237D+02  0.114991D+01 -0.517868D+00  0.402498D+01 -0.360390D+00
      3  -0.574275D+01  0.829718D+01 -0.112485D+02  0.291240D+01 -0.128691D+02
               266           267           268           269           270 
      1  -0.484550D+01 -0.181451D+01  0.350506D-01  0.782608D-01 -0.112002D+01
      2   0.140606D+01 -0.625394D+01  0.102263D+01 -0.151511D+01  0.650554D+00
      3   0.239319D+02 -0.447329D+01 -0.305361D+01  0.439432D+01  0.142302D+01
               271           272           273           274           275 
      1  -0.252285D+01  0.282412D+01  0.346912D+01  0.192442D+01 -0.603062D+01
      2  -0.161730D+01  0.254691D+01 -0.156010D+01  0.199872D+01 -0.234532D+01
      3  -0.115930D+02  0.139549D+02 -0.491479D-01  0.113110D+02 -0.229622D+02
               276           277           278           279           280 
      1  -0.359711D+01  0.205036D+01 -0.837358D+00 -0.912162D+00  0.232913D+01
      2   0.123834D+01 -0.211590D+01  0.785417D+00 -0.406786D+00 -0.386621D+01
      3  -0.202113D+00  0.243296D+01 -0.460664D+01 -0.247602D+01 -0.523348D+00
               281           282           283           284           285 
      1   0.131602D+01  0.205359D+01  0.128507D+01  0.351908D+01  0.252490D+01
      2  -0.342161D+00 -0.312382D+01 -0.258801D+01 -0.145630D+01 -0.466124D+01
      3   0.144571D+01 -0.125382D+01  0.171162D+01  0.167030D+01  0.505273D+00
               286           287           288           289           290 
      1   0.123467D+01  0.485821D+01  0.141388D+02 -0.115401D+01 -0.146787D+01
      2  -0.442456D+01 -0.486702D+00 -0.198945D+02  0.445968D+01  0.391743D+00
      3  -0.173822D+01  0.392682D+01 -0.667094D+00  0.617501D+01 -0.548016D+01
               291           292           293           294           295 
      1  -0.358258D+01 -0.133444D+01 -0.178250D+01 -0.133612D+01 -0.182907D+01
      2   0.640205D+01  0.195267D+01  0.875739D+00  0.150842D+01  0.186381D+01
      3   0.938075D+00 -0.468666D-01 -0.446952D+01 -0.199467D-01 -0.346341D-01
               296           297 
      1   0.295676D+00  0.126685D+01
      2   0.567631D+00 -0.162230D+01
      3  -0.111027D+01  0.661427D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.563334D+01 -0.362646D+01 -0.179121D+02  0.104269D+02 -0.117225D+02
      2  -0.125874D+00 -0.348560D+00  0.288209D+01 -0.879868D+00  0.189708D+02
      3   0.575922D+01  0.397502D+01  0.150300D+02 -0.954704D+01 -0.724828D+01
      4  -0.656902D+01 -0.295045D+01 -0.773612D+01  0.245639D+01 -0.143440D+01
      5  -0.164076D+02 -0.669589D+01  0.847059D+00 -0.738830D+01 -0.206308D+01
      6  -0.935120D+01 -0.490101D+00 -0.101201D+01 -0.306972D+01  0.845620D+00
                 6             7             8             9            10 
      1  -0.384827D+01  0.293072D+02  0.110670D+02  0.134114D+02  0.580188D+02
      2   0.806918D+01 -0.785459D+01 -0.207248D+01 -0.600921D+01 -0.217355D+02
      3  -0.422092D+01 -0.214527D+02 -0.899456D+01 -0.740221D+01 -0.362833D+02
      4  -0.132849D+01  0.469504D+01  0.113509D+01 -0.434853D+01  0.703421D+01
      5  -0.711812D+01  0.123310D+02 -0.393557D+01 -0.424212D+01  0.663953D+01
      6   0.148714D+01 -0.585800D+01 -0.417291D+01 -0.110156D+02  0.574195D+00
                11            12            13            14            15 
      1   0.568295D+01  0.390762D+01  0.259258D+01 -0.217067D+01 -0.599494D+01
      2  -0.809766D+00  0.337843D+01  0.360071D+01  0.767483D+01  0.280831D+01
      3  -0.487318D+01 -0.728605D+01 -0.619330D+01 -0.550416D+01  0.318663D+01
      4   0.184540D+00  0.365513D+01  0.156702D+02  0.424979D+01  0.441228D+00
      5   0.475667D+01  0.571823D+01 -0.844357D+01  0.777469D+00  0.181389D+01
      6   0.640440D+00  0.222704D+01 -0.740214D+01 -0.538714D+01  0.919439D+01
                16            17            18            19            20 
      1   0.932149D+01 -0.666150D+01 -0.149881D+02  0.550378D+01  0.110339D+02
      2  -0.438823D+01 -0.439285D+01  0.396053D+00  0.409354D+01 -0.906340D+01
      3  -0.493326D+01  0.110543D+02  0.145920D+02 -0.959732D+01 -0.197052D+01
      4  -0.115318D+02  0.372528D+00 -0.600626D+00  0.165019D+01  0.566279D+01
      5  -0.110424D+02  0.259939D+00 -0.351586D+01  0.168604D+02  0.278797D+01
      6  -0.234230D+01  0.142421D+01  0.550964D+01  0.671149D+01 -0.188490D+01
                21            22            23            24            25 
      1   0.189772D+02 -0.874537D+01 -0.349249D+01  0.144314D+02 -0.200950D+02
      2  -0.869549D+01 -0.225321D+01  0.636417D+01  0.513113D+00  0.335099D+01
      3  -0.102817D+02  0.109986D+02 -0.287169D+01 -0.149445D+02  0.167440D+02
      4   0.407988D+01  0.671178D+01 -0.617211D+01 -0.759808D+00 -0.247113D+01
      5  -0.457431D+01  0.838374D+01  0.114582D+01  0.673688D+00  0.934198D+01
      6  -0.450574D+01  0.340889D+01 -0.291127D+00  0.440899D+01  0.124485D+02
                26            27            28            29            30 
      1   0.369898D+01  0.512113D+01  0.132774D+02  0.314622D+01 -0.409610D+01
      2  -0.638493D+00  0.122370D+01 -0.107962D+01  0.704186D-01 -0.102851D+01
      3  -0.306049D+01 -0.634483D+01 -0.121978D+02 -0.321664D+01  0.512461D+01
      4   0.101859D+00  0.709739D+01  0.760414D+01  0.310876D+01  0.113619D+01
      5   0.615903D+01  0.609966D+01 -0.167999D+01  0.125411D+01  0.657142D+01
      6   0.588226D+01 -0.721644D+01 -0.742153D+01  0.212496D+01  0.263040D+01
                31            32            33            34            35 
      1  -0.678714D+01 -0.135730D+01 -0.736782D+01  0.380838D+01 -0.520329D+01
      2   0.647376D+01  0.553610D+01 -0.270614D-01 -0.602555D+01 -0.728087D+01
      3   0.313379D+00 -0.417880D+01  0.739488D+01  0.221717D+01  0.124842D+02
      4   0.190883D+02 -0.279253D+00 -0.256122D+01 -0.113596D+02 -0.659118D+01
      5  -0.131125D+02 -0.200494D+01  0.225733D+01 -0.128744D+02  0.666636D+00
      6  -0.187645D+01 -0.342899D+01  0.789951D+01 -0.599677D+01  0.943648D+00
                36            37            38            39            40 
      1  -0.194109D+02  0.907641D+01 -0.136301D+01 -0.231292D+02  0.472457D+01
      2   0.406920D+01 -0.851832D+01 -0.151702D+01  0.243345D+01  0.479513D+01
      3   0.153417D+02 -0.558094D+00  0.288003D+01  0.206958D+02 -0.951970D+01
      4   0.129389D+01 -0.823765D+01 -0.444100D+01 -0.867205D+01  0.977688D+01
      5   0.172330D+01 -0.698958D+01 -0.621902D+01 -0.426835D+01 -0.532109D+01
      6   0.698376D+01 -0.585301D+01  0.745860D+00 -0.544415D+01 -0.283220D+01
                41            42            43            44            45 
      1  -0.102525D+02  0.603332D+00  0.211238D+02  0.850325D+01  0.828469D+01
      2   0.137398D+02  0.776862D+01 -0.137119D+01  0.274336D+01 -0.548440D+01
      3  -0.348736D+01 -0.837196D+01 -0.197526D+02 -0.112466D+02 -0.280029D+01
      4   0.677757D+00 -0.167810D+01 -0.877978D+00  0.418333D+01 -0.489874D+01
      5  -0.129514D+01 -0.109599D+02  0.674922D+01 -0.562688D+01 -0.425118D+01
      6   0.361799D+01  0.571609D+01 -0.870567D+01 -0.329843D+01 -0.131366D+02
                46            47            48            49            50 
      1  -0.415330D+01  0.719139D+01  0.189963D+02 -0.250035D+02 -0.504326D+01
      2   0.810698D+01 -0.377122D+01 -0.801391D+01  0.806550D+01  0.400112D+01
      3  -0.395369D+01 -0.342017D+01 -0.109824D+02  0.169380D+02  0.104213D+01
      4  -0.175285D+01  0.753065D+01  0.368549D+01  0.103989D+02 -0.397662D+01
      5   0.106487D+02  0.848582D+00 -0.963018D+01  0.334027D+01 -0.269999D+01
      6   0.387816D+01 -0.444570D+01 -0.678026D+01  0.495475D+00 -0.116756D+01
                51            52            53            54            55 
      1   0.188572D+02 -0.313850D+02  0.296880D+01 -0.206649D+01 -0.535473D+02
      2   0.115148D+01  0.452174D+01  0.576144D+00  0.406534D+01  0.220064D+02
      3  -0.200087D+02  0.268633D+02 -0.354494D+01 -0.199885D+01  0.315408D+02
      4  -0.945629D+00 -0.548612D+01 -0.179742D+01  0.518769D+01  0.563572D+01
      5   0.170479D+01 -0.620486D+00  0.494435D+01  0.899958D+01 -0.592109D+01
      6   0.101153D+02  0.956425D+01  0.715667D+01 -0.100844D+02 -0.167629D+01
                56            57            58            59            60 
      1   0.745391D+01 -0.499573D+01  0.421491D+02 -0.231159D+00  0.114383D+02
      2  -0.471167D+01 -0.549687D+00 -0.311126D+02 -0.173619D+02 -0.103665D+02
      3  -0.274224D+01  0.554541D+01 -0.110365D+02  0.175930D+02 -0.107183D+01
      4  -0.934874D+01  0.410220D+01 -0.258179D+02 -0.393224D+02 -0.108754D+02
      5   0.367902D+01 -0.145062D+02  0.101466D+02 -0.109298D+02 -0.154415D+01
      6   0.136414D+01 -0.354149D+01 -0.249340D+00 -0.664612D+01 -0.956468D+00
                61            62            63            64            65 
      1  -0.336814D+02  0.899685D+01 -0.136263D+02 -0.642669D+01 -0.354236D+02
      2   0.722838D+01 -0.110629D+02  0.124969D+02  0.857454D+01  0.174944D+02
      3   0.264530D+02  0.206609D+01  0.112940D+01 -0.214785D+01  0.179293D+02
      4   0.684704D+01 -0.165418D+02 -0.857884D+01 -0.395875D+02  0.659550D+01
      5  -0.319347D+02 -0.816467D+01  0.372039D+02 -0.650279D+01 -0.111864D+02
      6  -0.652245D+01 -0.385088D+01  0.909741D+01 -0.332254D+01 -0.270814D+01
                66            67            68            69            70 
      1  -0.103402D+02 -0.783169D+02  0.121124D+02 -0.134512D+02  0.984970D+01
      2   0.134585D+01  0.416449D+02 -0.671891D+01  0.592984D+01 -0.430505D+01
      3   0.899434D+01  0.366720D+02 -0.539345D+01  0.752132D+01 -0.554465D+01
      4  -0.101134D+02  0.150060D+02  0.361441D+02  0.147154D+02 -0.122343D+02
      5   0.239785D+02 -0.213630D+02  0.154960D+02 -0.143048D+01  0.459138D+02
      6  -0.176959D+01  0.279226D+01 -0.850306D+00  0.262196D-01 -0.135596D+00
                71            72            73            74            75 
      1  -0.831857D+01  0.454435D+02  0.373846D+02  0.353891D+02 -0.264218D+01
      2   0.230701D+01 -0.133785D+02 -0.299250D+02 -0.155422D+02 -0.414884D+01
      3   0.601156D+01 -0.320649D+02 -0.745957D+01 -0.198469D+02  0.679101D+01
      4   0.171376D+02 -0.864711D+00  0.314070D+02 -0.188554D+02  0.126487D+02
      5  -0.117674D-01 -0.489774D+02 -0.454682D+01  0.128350D+02 -0.244206D+02
      6   0.574015D+01  0.104215D+00  0.755284D+01 -0.443623D+01  0.118773D+02
                76            77            78            79            80 
      1   0.430984D+02 -0.173736D+02  0.663098D+01 -0.553353D+01  0.861897D+01
      2  -0.188157D+02  0.120061D+02  0.336799D+01 -0.629722D+01  0.323952D+01
      3  -0.242827D+02  0.536751D+01 -0.999897D+01  0.118307D+02 -0.118585D+02
      4  -0.247685D+02 -0.859484D+01 -0.226465D+02  0.148137D+02 -0.298601D+02
      5   0.153955D+02 -0.212749D+02  0.970115D+01 -0.365636D+02  0.162850D+02
      6  -0.807293D+01  0.124654D+02 -0.363698D+01  0.138562D+02 -0.773161D+01
                81            82            83            84            85 
      1  -0.274624D+02  0.170720D+02  0.414524D+02  0.149262D+01  0.607614D+02
      2   0.166125D+02 -0.305013D+01 -0.239005D+02  0.255241D+01 -0.364086D+02
      3   0.108500D+02 -0.140219D+02 -0.175520D+02 -0.404503D+01 -0.243528D+02
      4   0.230286D+02  0.448473D+02 -0.694400D+01  0.194458D+02 -0.223855D+02
      5   0.393652D+02 -0.244616D+01  0.212225D+02 -0.404712D+02  0.279952D+02
      6  -0.119409D+02  0.600816D+01 -0.852722D+00 -0.947119D+00 -0.565348D+01
                86            87            88            89            90 
      1  -0.895233D+01  0.275809D+02 -0.446184D+01  0.236246D+02 -0.555803D+02
      2  -0.319717D-01 -0.191993D+02  0.503449D+01 -0.169009D+02  0.279047D+02
      3   0.898430D+01 -0.838164D+01 -0.572651D+00 -0.672363D+01  0.276756D+02
      4  -0.501859D+02 -0.358888D+02  0.215052D+02 -0.331110D+02 -0.346986D+01
      5  -0.385431D+02  0.319345D+01 -0.621628D+02 -0.202067D+01  0.346889D+02
      6  -0.122467D+02 -0.719682D+01 -0.227154D+01 -0.742565D+01  0.528647D+01
                91            92            93            94            95 
      1   0.360307D+01  0.159996D+02 -0.724530D+01  0.269949D+02 -0.138336D+02
      2  -0.157997D+01 -0.119187D+02  0.493343D+01 -0.166667D+02  0.481067D+01
      3  -0.202310D+01 -0.408085D+01  0.231188D+01 -0.103282D+02  0.902289D+01
      4   0.114432D+02 -0.834154D+01  0.657958D+00 -0.392870D+02 -0.841902D+00
      5  -0.580527D+01  0.684642D+00 -0.490648D+01  0.799356D+01  0.463444D+01
      6   0.312829D+00  0.111618D+01 -0.582269D+01  0.522958D+01  0.645770D+01
                96            97            98            99           100 
      1  -0.146851D+01 -0.170497D+01 -0.247179D+01  0.163561D+01 -0.567002D+01
      2   0.301569D+01  0.721769D+01  0.102833D+02 -0.218248D+01  0.597224D+01
      3  -0.154718D+01 -0.551272D+01 -0.781151D+01  0.546871D+00 -0.302220D+00
      4   0.475911D+01  0.104571D+02  0.129903D+02 -0.221984D+02  0.442202D+01
      5  -0.184148D+02 -0.123702D+02 -0.213813D+02 -0.238759D+02  0.131858D+02
      6  -0.903540D+01 -0.120857D+02 -0.113933D+02 -0.845655D+01 -0.423496D+00
               101           102           103           104           105 
      1  -0.455658D+01  0.835559D+01  0.755826D+01  0.173216D+02 -0.183064D+01
      2   0.347663D+01 -0.630101D+01 -0.103703D+02 -0.569815D+01  0.210630D+01
      3   0.107994D+01 -0.205458D+01  0.281205D+01 -0.116235D+02 -0.275656D+00
      4   0.782712D+01 -0.479807D+00  0.180076D+02 -0.930704D+01 -0.231658D+01
      5  -0.140854D+00 -0.169269D+02  0.139536D-01 -0.211960D+01  0.330127D+02
      6  -0.239556D+00  0.919389D+01 -0.254840D+01  0.297004D+01 -0.746537D+01
               106           107           108           109           110 
      1   0.320873D+02 -0.126595D+02 -0.168005D+02  0.447346D+02 -0.955786D+01
      2  -0.129397D+02  0.197703D+00  0.152408D+02 -0.258158D+02  0.415863D+01
      3  -0.191476D+02  0.124618D+02  0.155971D+01 -0.189188D+02  0.539923D+01
      4  -0.214755D+02  0.199016D+02  0.205752D+02 -0.154423D+02  0.124468D+02
      5  -0.373830D+02  0.210517D+02  0.269118D+02 -0.374887D+02  0.245381D+01
      6   0.121705D+02 -0.143439D+02 -0.451380D+01  0.720195D+01 -0.319479D+01
               111           112           113           114           115 
      1  -0.269059D+02 -0.132331D+02  0.110829D+01 -0.789157D+00 -0.517395D+02
      2   0.182641D+02  0.389792D+01  0.430435D+01 -0.673711D+00  0.289544D+02
      3   0.864185D+01  0.933521D+01 -0.541264D+01  0.146287D+01  0.227851D+02
      4   0.492753D+01  0.190104D+02 -0.164081D+02 -0.167547D+02  0.230880D+02
      5   0.310925D+02  0.871380D+01 -0.174711D+02 -0.214707D+02  0.474016D+02
      6  -0.588858D+01 -0.370958D+01  0.866240D+01  0.146411D+02 -0.825090D+01
               116           117           118           119           120 
      1   0.814240D+01  0.131621D+02  0.375573D+01  0.865480D+01  0.154932D+02
      2  -0.206166D+01 -0.239509D+02 -0.111468D+02  0.401410D+01 -0.110599D+02
      3  -0.608074D+01  0.107888D+02  0.739106D+01 -0.126689D+02 -0.443323D+01
      4  -0.321257D+02 -0.137173D+02  0.171846D+02 -0.238536D+02 -0.407511D+00
      5  -0.138095D+02 -0.758138D+02  0.144878D+02  0.313013D+01  0.107271D+02
      6   0.157872D+02  0.194992D+02 -0.915184D+00 -0.156341D+01 -0.153370D+01
               121           122           123           124           125 
      1   0.197924D+02 -0.301716D+02  0.782824D+01  0.270064D+02  0.248724D+01
      2   0.784369D+00  0.849199D+01 -0.480868D+01 -0.165109D+02 -0.316151D+01
      3  -0.205768D+02  0.216796D+02 -0.301956D+01 -0.104954D+02  0.674263D+00
      4  -0.291274D+02  0.333069D+02  0.705322D+01 -0.139073D+02  0.172275D+02
      5   0.687761D+00  0.672396D+01 -0.637754D+01  0.324835D+02 -0.185690D+02
      6  -0.106495D+01 -0.539672D+01  0.917445D+01 -0.836661D+01  0.154006D+02
               126           127           128           129           130 
      1   0.508716D+01  0.661229D+00 -0.309086D+01 -0.220550D+01 -0.467714D+00
      2  -0.142626D+02 -0.106033D+01  0.277651D+01 -0.706669D-02 -0.112600D+00
      3   0.917545D+01  0.399098D+00  0.314344D+00  0.221257D+01  0.580314D+00
      4  -0.157867D+02  0.423659D+01  0.455969D+01  0.437251D+01  0.428993D+01
      5   0.445412D+02  0.760543D+01  0.472949D+01  0.845585D+01  0.623939D+01
      6  -0.156452D+02  0.516841D+01  0.459171D+01  0.602761D+01  0.485381D+01
               131           132           133           134           135 
      1  -0.780993D+01 -0.853585D+01 -0.298944D+01 -0.115203D+02 -0.194669D+02
      2   0.492449D+01  0.119773D+01 -0.142108D+01  0.524128D+01 -0.228718D+00
      3   0.288544D+01  0.733812D+01  0.441051D+01  0.627905D+01  0.196956D+02
      4   0.532362D+01  0.403412D+01  0.439605D+01  0.444457D+01  0.479348D+01
      5   0.562783D+01  0.822543D+01  0.985436D+01  0.643152D+01  0.142423D+02
      6   0.906234D+01  0.102735D+02  0.642870D+01  0.128404D+02  0.173377D+02
               136           137           138           139           140 
      1   0.442682D+01  0.464307D-01  0.235323D+01  0.118286D+01 -0.234634D+01
      2  -0.541472D+01  0.398973D+00  0.345884D+01  0.784937D+00  0.582390D+00
      3   0.987893D+00 -0.445404D+00 -0.581207D+01 -0.196779D+01  0.176395D+01
      4  -0.444789D+01  0.326096D+01  0.245654D+01  0.263172D+01 -0.169632D+01
      5  -0.940442D+01  0.137302D+01  0.896244D+01  0.253298D+01 -0.230652D+01
      6   0.842127D+00 -0.216685D+01 -0.119193D+01 -0.186710D+01  0.246494D+01
               141           142           143           144           145 
      1  -0.461662D+01  0.327732D+01 -0.375033D+01 -0.144433D+02 -0.264247D+01
      2  -0.740148D+00  0.393311D+01  0.730223D+00 -0.684598D+01 -0.236043D+01
      3   0.535677D+01 -0.721044D+01  0.302011D+01  0.212892D+02  0.500290D+01
      4  -0.225278D+01  0.463615D+01 -0.486504D+01 -0.601876D+01  0.460012D+01
      5  -0.244541D+01  0.114036D+02 -0.293010D+01 -0.151432D+02  0.101007D+02
      6   0.372082D+01 -0.335579D+01  0.590597D+01  0.677599D+01  0.592486D+01
               146           147           148           149           150 
      1  -0.354140D+01 -0.542285D+01 -0.360850D+01 -0.797750D+01 -0.123850D+02
      2   0.104096D+01 -0.209173D+01 -0.122893D+01  0.206365D+01 -0.150527D+01
      3   0.250045D+01  0.751457D+01  0.483743D+01  0.591384D+01  0.138902D+02
      4   0.442778D+01  0.403295D+01  0.320133D+01  0.367644D+01  0.332174D+01
      5   0.571371D+01  0.117672D+02  0.677074D+01  0.545617D+01  0.950355D+01
      6   0.538535D+01  0.677737D+01  0.449506D+01  0.863595D+01  0.106875D+02
               151           152           153           154           155 
      1  -0.722627D+01 -0.125545D+02 -0.264680D+02  0.654730D+00 -0.550261D+00
      2  -0.266263D+01  0.159927D+01 -0.705969D+01 -0.850921D+01  0.963912D+00
      3   0.988890D+01  0.109553D+02  0.335277D+02  0.785448D+01 -0.413651D+00
      4   0.401309D+01  0.399852D+01  0.387968D+01 -0.366219D+01  0.328107D+01
      5   0.113910D+02  0.694147D+01  0.175838D+02 -0.157264D+02  0.194047D+01
      6   0.694193D+01  0.134043D+02  0.190375D+02  0.601595D+00 -0.288277D+01
               156           157           158           159           160 
      1   0.500766D+01  0.378753D+01 -0.252615D+01 -0.621076D+01  0.334414D+01
      2   0.870564D+01 -0.212720D+00 -0.122028D+00 -0.236689D+01  0.947693D+01
      3  -0.137133D+02 -0.357481D+01  0.264818D+01  0.857765D+01 -0.128211D+02
      4   0.295322D+01  0.122962D+01 -0.127268D+01 -0.286927D+01  0.487544D+01
      5   0.168966D+02  0.203340D+01 -0.289079D+01 -0.360701D+01  0.173765D+02
      6  -0.130192D+00 -0.184225D+01  0.234445D+01  0.386490D+01 -0.302828D+01
               161           162           163           164           165 
      1  -0.325867D+01 -0.210892D+02  0.148147D+02 -0.557397D+00 -0.711475D+01
      2  -0.954872D+00 -0.154381D+02 -0.110797D+02  0.617377D+00  0.609591D+01
      3   0.421354D+01  0.365272D+02 -0.373496D+01 -0.599801D-01  0.101884D+01
      4  -0.451045D+01 -0.595450D+01  0.343638D+01  0.746416D+01 -0.606190D+01
      5  -0.391191D+01 -0.251179D+02 -0.153136D+02 -0.543335D+01  0.183017D+02
      6   0.638078D+01  0.579494D+01 -0.345323D+01 -0.256612D+01  0.393208D+01
               166           167           168           169           170 
      1  -0.887050D+01 -0.152572D+01  0.103742D+01 -0.164937D+02  0.142079D+01
      2   0.488514D+01  0.214896D+01 -0.683307D+00  0.128897D+02  0.136215D+00
      3   0.398535D+01 -0.623233D+00 -0.354116D+00  0.360401D+01 -0.155700D+01
      4   0.523569D+01  0.581136D+01 -0.468890D+01 -0.850973D+01 -0.100274D+02
      5  -0.135027D+01 -0.508994D+01  0.202144D+00  0.215799D+02  0.109884D+02
      6  -0.198591D+01 -0.191204D+01  0.522581D+01  0.656277D+01  0.803152D+01
               171           172           173           174           175 
      1  -0.482719D+01  0.813274D+01  0.620422D+01  0.354832D+01  0.100340D+02
      2  -0.111100D+02  0.253531D+00 -0.124051D+01 -0.117769D+01  0.428220D+01
      3   0.159372D+02 -0.838627D+01 -0.496371D+01 -0.237063D+01 -0.143162D+02
      4   0.108756D+02  0.934327D+01  0.130426D+02  0.524136D+00  0.248216D+02
      5  -0.426715D+02  0.429876D+01 -0.917409D-01  0.398838D+01  0.167191D+01
      6  -0.142518D+02  0.150994D+01  0.749583D-04  0.651241D+00  0.124519D+01
               176           177           178           179           180 
      1  -0.168981D+02 -0.144290D+01  0.178808D+02 -0.360825D+01 -0.185561D+00
      2   0.377902D+02  0.402814D+01 -0.453782D+01  0.827239D+01  0.155041D+01
      3  -0.208922D+02 -0.258524D+01 -0.133430D+02 -0.466414D+01 -0.136485D+01
      4   0.527807D+02  0.603267D+01  0.765428D+01  0.161633D+02  0.794516D+01
      5   0.540866D+01  0.621300D+01  0.889159D+01  0.766957D+01  0.224542D+01
      6   0.287271D+01  0.587318D+01  0.314770D+01  0.716807D+01  0.280565D+01
               181           182           183           184           185 
      1  -0.131576D+02  0.484772D+01  0.128749D+02  0.104376D+02 -0.730490D+01
      2   0.242833D+01 -0.212750D+01 -0.212725D+01 -0.509925D+01  0.325872D+01
      3   0.107293D+02 -0.272022D+01 -0.107477D+02 -0.533839D+01  0.404619D+01
      4   0.575299D+01 -0.240959D+01  0.163750D+01  0.115225D+01 -0.474684D+01
      5   0.624013D+01  0.147039D+01 -0.566352D+01  0.129053D+01  0.320122D+01
      6  -0.386837D+00 -0.533796D+00  0.348214D+00 -0.136862D+01 -0.336696D-02
               186           187           188           189           190 
      1   0.230043D+01  0.242923D+02  0.338330D+01 -0.282502D+02  0.122927D+02
      2  -0.103436D+01 -0.919413D+01 -0.203555D+01 -0.720737D+01 -0.645297D+01
      3  -0.126608D+01 -0.150981D+02 -0.134775D+01  0.354575D+02 -0.583977D+01
      4   0.349075D+01  0.251905D+01  0.770395D+01  0.353970D-01 -0.110622D+02
      5  -0.785868D+00 -0.164514D+01  0.395989D+00  0.462106D+02 -0.148999D+02
      6   0.705973D+01  0.170524D+00  0.406984D+01 -0.120034D+01  0.360655D+01
               191           192           193           194           195 
      1  -0.562831D+01 -0.110180D+02 -0.806871D+00  0.133914D+01 -0.239522D+01
      2   0.964403D+00  0.814661D+01 -0.112511D+01  0.100535D+00  0.249283D+01
      3   0.466390D+01  0.287137D+01  0.193198D+01 -0.143968D+01 -0.976029D-01
      4   0.114589D+02  0.587904D+01  0.705206D+01 -0.415094D+01 -0.495675D+01
      5   0.357334D+01  0.201574D+02 -0.712616D+00 -0.494012D+01 -0.170602D+01
      6  -0.170241D+01 -0.666819D+01 -0.154172D+01  0.153747D+01  0.611830D+01
               196           197           198           199           200 
      1  -0.202147D+02 -0.127744D+01  0.776128D+01  0.311874D+02 -0.188358D+02
      2   0.130079D+02  0.344867D+01 -0.140849D+02 -0.762354D+01 -0.265614D+00
      3   0.720676D+01 -0.217123D+01  0.632367D+01 -0.235639D+02  0.191014D+02
      4   0.118970D+02 -0.167903D+02 -0.180483D+02 -0.377975D+02  0.361139D+02
      5   0.249313D+02 -0.140739D+02 -0.540641D+02  0.150833D+02 -0.103177D+02
      6  -0.873486D+01  0.908262D+01  0.202932D+02 -0.748153D+01  0.675660D+01
               201           202           203           204           205 
      1   0.101639D+02 -0.193668D+02  0.924322D+01 -0.369443D+01  0.196024D+02
      2  -0.253974D+01  0.445764D-01  0.119830D+02 -0.326330D+01 -0.612272D+01
      3  -0.762420D+01  0.193222D+02 -0.212262D+02  0.695772D+01 -0.134797D+02
      4  -0.129374D+02  0.360590D+02 -0.444606D+02  0.175236D+02 -0.236927D+02
      5   0.157928D+02 -0.112275D+02  0.155267D+02 -0.125857D+02  0.201700D+02
      6  -0.780225D+01  0.749262D+01 -0.109681D+02  0.908967D+01 -0.976357D+01
               206           207           208           209           210 
      1  -0.588369D+01  0.888620D+01 -0.548089D+02 -0.238052D+02 -0.122495D+01
      2  -0.472315D+01 -0.395555D+01  0.318250D+02  0.211874D+02  0.101608D+01
      3   0.106068D+02 -0.493065D+01  0.229839D+02  0.261786D+01  0.208874D+00
      4   0.304063D+02 -0.192106D+02  0.533293D+01 -0.111425D+02 -0.166463D+01
      5  -0.162719D+02  0.159622D+02 -0.171572D+01 -0.243973D+01 -0.203170D+01
      6   0.114305D+02 -0.981101D+01 -0.154812D+01 -0.528722D+00  0.292303D+01
               211           212           213           214           215 
      1  -0.194342D+02 -0.182359D+02 -0.110592D+01 -0.198588D+01  0.626849D-01
      2   0.154528D+02  0.177314D+02  0.569175D-02  0.185666D+01 -0.371199D+00
      3   0.398145D+01  0.504506D+00  0.110023D+01  0.129224D+00  0.308514D+00
      4   0.575632D+00 -0.676527D+01  0.166837D+01 -0.412026D+00  0.301569D+01
      5  -0.126088D+01  0.103081D+01 -0.262888D+01  0.307304D+01 -0.407477D+01
      6   0.864168D+00 -0.529651D+00  0.355560D+01  0.100553D+01  0.423117D+01
               216           217           218           219           220 
      1  -0.308101D+01  0.402536D+02  0.150300D+01 -0.216623D+02 -0.435700D+01
      2   0.128352D+01 -0.215821D+02  0.142816D+00  0.103161D+02  0.366982D+01
      3   0.179749D+01 -0.186715D+02 -0.164581D+01  0.113463D+02  0.687183D+00
      4  -0.422083D+01  0.347579D+01  0.869797D+01 -0.543966D+01  0.123858D+02
      5  -0.406281D+01 -0.210939D+02 -0.472672D+01  0.262463D+02 -0.366350D+01
      6   0.107283D+01 -0.288028D+01 -0.356733D+00  0.280853D+01 -0.119650D+01
               221           222           223           224           225 
      1   0.717662D+01 -0.369799D+01 -0.570201D+02 -0.946225D+01  0.332168D+02
      2  -0.229745D+01  0.162443D+01  0.296270D+02  0.393533D+01 -0.207746D+02
      3  -0.487917D+01  0.207355D+01  0.273930D+02  0.552691D+01 -0.124422D+02
      4   0.858974D+01 -0.474405D+01 -0.128055D+02 -0.152219D+02  0.748053D+01
      5  -0.414280D+01  0.200243D+01  0.415275D+02  0.714983D+01 -0.605266D+02
      6   0.337927D+00  0.406065D+01  0.388151D+01  0.425641D+01 -0.729924D+01
               226           227           228           229           230 
      1   0.374382D+01  0.869235D+01  0.452479D+01  0.260416D+02  0.562973D+01
      2  -0.378901D+00 -0.341853D+01 -0.213110D+01 -0.928522D+01  0.130864D+02
      3  -0.336492D+01 -0.527383D+01 -0.239369D+01 -0.167564D+02 -0.187161D+02
      4   0.776041D+01  0.965558D+01  0.194239D+01  0.333063D+02  0.802857D+02
      5   0.438886D+01  0.222190D+01  0.629972D+01  0.108928D+02  0.270832D+02
      6   0.226358D+01  0.838204D+00  0.261066D+00  0.595481D+01  0.168837D+02
               231           232           233           234           235 
      1  -0.417906D+00  0.119600D+02 -0.160382D+01  0.657126D+01  0.801400D+02
      2   0.161967D+01 -0.649702D+01  0.283865D+01 -0.476176D+01 -0.456347D+02
      3  -0.120177D+01 -0.546297D+01 -0.123483D+01 -0.180950D+01 -0.345054D+02
      4   0.258458D+02  0.858906D+01  0.274964D+02  0.164463D+02 -0.216836D+02
      5   0.213516D+02  0.169759D+02  0.171157D+02  0.142042D+02  0.370576D+02
      6   0.111347D+02  0.354221D+01  0.108301D+02  0.710327D+01 -0.309533D+01
               236           237           238           239           240 
      1  -0.218893D+02  0.282062D+02 -0.567063D+02  0.178470D+02 -0.180412D+02
      2   0.129077D+02 -0.187726D+02  0.317759D+02 -0.865881D+01  0.130982D+02
      3   0.898156D+01 -0.943366D+01  0.249305D+02 -0.918816D+01  0.494299D+01
      4   0.184490D+02 -0.105371D+02  0.259320D+02 -0.198755D+02  0.162773D+02
      5  -0.123429D+02  0.301890D+02 -0.263959D+02  0.170533D+02 -0.213758D+02
      6   0.211484D+01 -0.409187D+00  0.458931D+01 -0.366384D+01  0.422278D+01
               241           242           243           244           245 
      1   0.479473D+02 -0.111184D+02  0.293160D+02  0.291201D+01  0.431682D+00
      2  -0.308862D+02  0.867496D+01 -0.228416D+02 -0.348546D+01  0.124355D+00
      3  -0.170612D+02  0.244348D+01 -0.647447D+01  0.573455D+00 -0.556037D+00
      4  -0.129301D+02  0.189501D+02 -0.103704D+02  0.489893D+01  0.748601D+01
      5   0.438162D+02 -0.114891D+02  0.318782D+02  0.126621D+02  0.390262D+01
      6  -0.187466D+01  0.500267D+01 -0.300334D+01  0.565054D+01  0.146432D+01
               246           247           248           249           250 
      1   0.766738D+01 -0.545089D+00 -0.960992D+00 -0.128586D+01  0.112393D+02
      2  -0.476177D+01  0.138833D+01  0.323569D+01  0.138986D+01 -0.781544D+01
      3  -0.290561D+01 -0.843244D+00 -0.227470D+01 -0.103999D+00 -0.342384D+01
      4   0.433953D+01  0.110870D+02  0.112098D+02  0.800443D+01  0.651929D+01
      5   0.109256D+02  0.498121D+01  0.833789D+01  0.119289D+02  0.155586D+02
      6   0.317201D+01  0.290057D+01  0.593677D+01  0.926060D+01  0.490833D+01
               251           252           253           254           255 
      1  -0.368858D+01 -0.442915D+01 -0.409446D+02 -0.460063D+02  0.760123D+01
      2   0.195022D+01 -0.677293D+01  0.225084D+01  0.324527D+02  0.172979D+01
      3   0.173836D+01  0.112021D+02  0.386938D+02  0.135536D+02 -0.933102D+01
      4   0.128006D+02  0.125401D+02 -0.577439D+02 -0.948745D+01  0.595414D+01
      5   0.121202D+02  0.348505D+02  0.125129D+02  0.957674D+01  0.620837D+01
      6   0.865432D+01  0.156252D+02  0.579165D+01  0.355353D+00  0.335971D+01
               256           257           258           259           260 
      1  -0.357540D+02  0.134245D+02  0.123470D+02 -0.279515D+01  0.138558D+02
      2   0.283990D+02 -0.176045D+02 -0.459182D+01  0.297728D+01 -0.116042D+02
      3   0.735498D+01  0.417998D+01 -0.775523D+01 -0.182127D+00 -0.225166D+01
      4   0.408261D+01  0.484015D+01 -0.835927D+01 -0.376650D+01 -0.143086D+02
      5   0.266229D+01 -0.133786D+02  0.143050D+02  0.136385D+02  0.138537D+02
      6  -0.583324D+01 -0.869514D+01  0.125540D+02  0.100283D+02  0.147547D+02
               261           262           263           264           265 
      1   0.921983D+01  0.335559D+02 -0.233438D+02  0.608907D+01 -0.276978D+02
      2   0.131885D+02 -0.915901D+01  0.405775D+01 -0.227322D+01  0.220662D+01
      3  -0.224083D+02 -0.243969D+02  0.192860D+02 -0.381585D+01  0.254912D+02
      4   0.188952D+02 -0.356000D+02  0.338320D+02 -0.735019D+01  0.462860D+02
      5   0.149891D+02  0.123832D+02 -0.858149D+01  0.946184D+01 -0.121193D+02
      6   0.453653D+01 -0.451997D+01  0.437621D+01 -0.250687D+01  0.561474D+01
               266           267           268           269           270 
      1   0.206506D+02 -0.446269D+01 -0.737048D+01  0.663951D+01  0.122113D+01
      2   0.819767D+01  0.724610D+00 -0.477887D+00  0.150153D+01 -0.360078D+00
      3  -0.288482D+02  0.373807D+01  0.784836D+01 -0.814104D+01 -0.861049D+00
      4  -0.593566D+02  0.116638D+02  0.102371D+02 -0.112666D+02 -0.424402D+01
      5   0.137023D+02 -0.129207D+02  0.439225D+01 -0.394254D+01  0.356348D+01
      6  -0.854065D+01  0.557755D+01 -0.211835D+01  0.318751D+01 -0.128228D+01
               271           272           273           274           275 
      1  -0.118613D+02  0.264810D+02 -0.192404D+01  0.178844D+02 -0.362927D+02
      2   0.139515D+02 -0.297419D+02 -0.420038D-01 -0.159841D+02  0.508726D+02
      3  -0.209023D+01  0.326089D+01  0.196605D+01 -0.190026D+01 -0.145798D+02
      4   0.186316D+01 -0.623820D+01  0.126482D+01  0.490041D+01  0.220464D+02
      5   0.272310D+01 -0.244056D+01 -0.343387D+01 -0.399885D+01  0.383454D+01
      6  -0.101991D+01  0.424537D+01 -0.513808D+01  0.121771D+01 -0.629651D+01
               276           277           278           279           280 
      1   0.393889D+00  0.384991D+01 -0.596411D+01 -0.611597D+01  0.122932D+01
      2   0.413636D+00 -0.256119D+01  0.912604D+01  0.390149D+01 -0.205874D+01
      3  -0.807525D+00 -0.128873D+01 -0.316193D+01  0.221447D+01  0.829422D+00
      4  -0.415750D+00  0.175768D+01  0.722507D+01 -0.615889D+00  0.275159D+01
      5   0.302574D+01 -0.126169D+01  0.179621D+01  0.525837D+00 -0.349610D+01
      6   0.619380D+01 -0.267660D+01  0.473037D+01  0.885839D+00 -0.159391D+01
               281           282           283           284           285 
      1   0.484034D+01 -0.749073D+01 -0.122386D+01 -0.283037D+01 -0.311008D+01
      2  -0.447901D+01  0.805388D+00 -0.988440D+00 -0.271329D+00 -0.324350D+01
      3  -0.361330D+00  0.668534D+01  0.221230D+01  0.310170D+01  0.635358D+01
      4   0.229296D+00 -0.215328D+01 -0.169544D+01 -0.612616D+01 -0.128112D+01
      5  -0.382115D+00 -0.952327D+00  0.133475D+01 -0.292963D+00 -0.749441D+01
      6   0.156414D+01 -0.295411D+01  0.118718D+01  0.178237D+01 -0.106568D+01
               286           287           288           289           290 
      1  -0.940611D+01  0.213251D+01 -0.183345D+02  0.768522D+02  0.245299D+02
      2   0.356858D+01 -0.591862D+01 -0.144181D+02 -0.239053D+02  0.104684D+00
      3   0.583754D+01  0.378611D+01  0.327527D+02 -0.529470D+02 -0.246346D+02
      4  -0.679416D+01 -0.954014D+01 -0.243928D+01  0.677598D+02  0.411487D+02
      5   0.613231D+01  0.892658D+00 -0.329147D+02 -0.215622D+02 -0.103906D+02
      6   0.687362D+00  0.524220D+01 -0.197275D+02 -0.865646D+01 -0.713081D+01
               291           292           293           294           295 
      1  -0.542528D+01  0.175557D+02  0.848913D+01 -0.180634D+01  0.953066D+00
      2   0.240540D+01  0.196524D+00  0.682430D+01  0.198541D+00  0.971655D+00
      3   0.301988D+01 -0.177522D+02 -0.153134D+02  0.160779D+01 -0.192472D+01
      4  -0.937751D+01  0.310550D+02  0.248845D+02 -0.363035D+01 -0.245884D+00
      5   0.140842D+02 -0.672327D+01 -0.359669D+01  0.375075D+01  0.112536D+02
      6   0.785666D+01 -0.434874D+01 -0.408880D+01  0.310716D+01  0.559673D+01
               296           297 
      1  -0.110764D+01  0.503003D+01
      2   0.186747D+01 -0.406325D+01
      3  -0.759824D+00 -0.966783D+00
      4   0.130325D+01  0.551220D+01
      5   0.434522D+01 -0.473409D+01
      6   0.312964D+01 -0.239918D+01
 Leave Link  716 at Mon Sep 27 22:24:26 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228329D+03  0.885357D+01 -0.412191D+01
      2   0.885357D+01  0.142451D+03  0.676502D+01
      3  -0.412191D+01  0.676502D+01  0.154887D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.699483D+01 -0.218782D+01 -0.638312D+01
      2  -0.415473D+02 -0.169396D+02 -0.382038D+02
      3   0.292358D+02  0.566960D+02  0.945992D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.274135D+03 -0.775342D+02 -0.499167D+02
      2   0.148058D+03  0.707081D+02  0.189639D+01
      3   0.126077D+03  0.682606D+01  0.480204D+02
      4  -0.101860D+02 -0.103224D+03 -0.298222D+02
      5  -0.451146D+02 -0.277997D+02 -0.797707D+02
      6  -0.683312D+01 -0.228654D+02  0.198338D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.930136D+01  0.217159D+01 -0.701557D+00 -0.292775D+00 -0.854865D-01
      2   0.217159D+01 -0.437866D-01  0.406254D+00 -0.854865D-01 -0.359119D+01
      3  -0.701557D+00  0.406254D+00 -0.182443D+01  0.158340D+01 -0.153381D+01
                 6             7             8             9            10 
      1   0.158340D+01 -0.119838D+02 -0.100435D+01  0.296900D+00 -0.316021D+02
      2  -0.153381D+01 -0.100435D+01  0.157037D-01  0.124935D+01 -0.336466D+01
      3   0.102126D+01  0.296900D+00  0.124935D+01 -0.162014D+01 -0.325318D+00
                11            12            13            14            15 
      1  -0.336466D+01 -0.325318D+00 -0.720620D+01 -0.507001D+01  0.126067D+01
      2  -0.182083D+01 -0.757433D+00 -0.507001D+01 -0.291132D+01  0.342473D+00
      3  -0.757433D+00 -0.280576D+01  0.126067D+01  0.342473D+00 -0.838963D+00
                16            17            18            19            20 
      1  -0.113761D+01  0.155386D+01 -0.130575D+01 -0.772661D+01 -0.247334D+01
      2   0.155386D+01  0.616184D+00 -0.129908D+00 -0.247334D+01  0.195025D+01
      3  -0.130575D+01 -0.129908D+00  0.157974D+01  0.187320D+00  0.134354D+01
                21            22            23            24            25 
      1   0.187320D+00 -0.798055D+01  0.122878D-01  0.607233D+00 -0.111412D+02
      2   0.134354D+01  0.122878D-01 -0.144966D+01 -0.171178D+01 -0.261518D+01
      3   0.130535D+01  0.607233D+00 -0.171178D+01  0.194590D+01  0.221569D+00
                26            27            28            29            30 
      1  -0.261518D+01  0.221569D+00  0.283233D+02  0.451539D+01 -0.140458D+01
      2  -0.115040D+01  0.114775D+01  0.451539D+01  0.233520D+01  0.190797D+00
      3   0.114775D+01 -0.225761D+01 -0.140458D+01  0.190797D+00  0.250272D+01
                31            32            33            34            35 
      1   0.409060D+01  0.572890D+01 -0.148139D+01 -0.781657D+00 -0.114120D+01
      2   0.572890D+01  0.216675D+01 -0.623600D+00 -0.114120D+01 -0.164384D+01
      3  -0.148139D+01 -0.623600D+00  0.160813D+01  0.109705D+01  0.390516D+00
                36            37            38            39            40 
      1   0.109705D+01 -0.115848D+02 -0.272190D+01  0.111436D+01 -0.674237D+00
      2   0.390516D+00 -0.272190D+01 -0.733410D-01 -0.450502D+00  0.760671D+00
      3   0.810593D+00  0.111436D+01 -0.450502D+00  0.338463D+01 -0.172787D+01
                41            42            43            44            45 
      1   0.760671D+00 -0.172787D+01  0.135473D+02  0.759899D+00 -0.145432D+01
      2   0.382551D+01  0.187287D+01  0.759899D+00  0.623262D+00 -0.140837D+01
      3   0.187287D+01 -0.103732D+01 -0.145432D+01 -0.140837D+01  0.126350D+01
                46            47            48            49            50 
      1   0.990280D+01  0.242172D+01 -0.588919D+00  0.104925D+02 -0.662357D+00
      2   0.242172D+01 -0.175535D+01 -0.137210D+01 -0.662357D+00  0.114574D+01
      3  -0.588919D+00 -0.137210D+01 -0.214300D+01 -0.275276D+00  0.212447D+01
                51            52            53            54            55 
      1  -0.275276D+00  0.106079D+02  0.237653D+01  0.116641D+01  0.182289D+02
      2   0.212447D+01  0.237653D+01  0.126765D+01 -0.121158D+01 -0.109457D+00
      3  -0.310601D+01  0.116641D+01 -0.121158D+01  0.149377D+01  0.975154D+00
                56            57            58            59            60 
      1  -0.109457D+00  0.975154D+00 -0.366707D+01  0.428471D+01 -0.108852D+01
      2   0.145991D+01 -0.522735D+00  0.428471D+01  0.592446D+01  0.164757D+01
      3  -0.522735D+00  0.205675D+01 -0.108852D+01  0.164757D+01  0.232611D+00
                61            62            63            64            65 
      1   0.756159D+01 -0.656024D+00  0.389973D+01 -0.457714D+01  0.392321D+01
      2  -0.656024D+00  0.264013D+01  0.115535D+01  0.392321D+01 -0.878917D+00
      3   0.389973D+01  0.115535D+01 -0.482992D+01  0.336560D+00  0.121261D+01
                66            67            68            69            70 
      1   0.336560D+00  0.123029D+02 -0.181916D+01  0.215202D+01 -0.578429D+01
      2   0.121261D+01 -0.181916D+01 -0.435726D+01 -0.165460D+01  0.100752D+01
      3  -0.327589D+01  0.215202D+01 -0.165460D+01  0.339515D+00 -0.506416D+01
                71            72            73            74            75 
      1   0.100752D+01 -0.506416D+01 -0.322636D+01 -0.470206D+01  0.681120D+00
      2  -0.238774D+01  0.491105D-01 -0.470206D+01  0.985416D+00 -0.134623D+01
      3   0.491105D-01  0.637833D+01  0.681120D+00 -0.134623D+01  0.298816D+01
                76            77            78            79            80 
      1  -0.620483D+01  0.129311D+01 -0.173549D+01  0.161702D+01 -0.157791D+01
      2   0.129311D+01  0.150250D+01  0.237505D+01 -0.157791D+01  0.327799D+01
      3  -0.173549D+01  0.237505D+01 -0.116258D+01  0.410111D+01 -0.181004D+01
                81            82            83            84            85 
      1   0.410111D+01 -0.171125D+01 -0.379744D+01 -0.394302D-01 -0.619181D+01
      2  -0.181004D+01 -0.379744D+01  0.801709D+00 -0.171567D+01  0.231414D+01
      3  -0.449495D+01 -0.394302D-01 -0.171567D+01  0.357542D+01 -0.216944D+01
                86            87            88            89            90 
      1   0.231414D+01 -0.216944D+01  0.116165D+01 -0.182047D+01  0.526252D+01
      2   0.503226D+01  0.341910D+01 -0.182047D+01  0.337029D+01  0.322310D+00
      3   0.341910D+01 -0.226739D+00  0.526252D+01  0.322310D+00 -0.326812D+01
                91            92            93            94            95 
      1  -0.560201D+01  0.368898D-01 -0.553200D+00  0.386129D+01 -0.575507D+01
      2   0.368898D-01 -0.228322D+01  0.480284D+00 -0.575507D+01 -0.343862D+00
      3  -0.553200D+00  0.480284D+00 -0.123870D+01  0.105759D+01  0.983508D+00
                96            97            98            99           100 
      1   0.105759D+01  0.220966D+01  0.178126D+01 -0.210985D+01 -0.224390D+01
      2   0.983508D+00  0.178126D+01  0.261849D+01 -0.310037D+01 -0.737470D-01
      3  -0.255153D+01 -0.210985D+01 -0.310037D+01 -0.321514D+01  0.174349D+01
               101           102           103           104           105 
      1  -0.737470D-01  0.174349D+01 -0.927356D+00  0.219540D+01 -0.270373D+00
      2   0.145502D+01  0.381837D-01  0.219540D+01 -0.243252D+01 -0.431135D+00
      3   0.381837D-01 -0.122143D+01 -0.270373D+00 -0.431135D+00  0.221927D+01
               106           107           108           109           110 
      1   0.458579D+01 -0.256502D+01 -0.252705D+01  0.484038D+01 -0.120888D+01
      2  -0.256502D+01  0.159381D+01  0.247824D+01 -0.120888D+01  0.532993D+00
      3  -0.252705D+01  0.247824D+01  0.310390D+01 -0.376819D+01  0.196003D+00
               111           112           113           114           115 
      1  -0.376819D+01 -0.273112D+01  0.151881D+01  0.785625D+00 -0.957134D+01
      2   0.196003D+00  0.151881D+01 -0.148824D+01 -0.200511D+01  0.218091D+01
      3   0.235726D+01  0.785625D+00 -0.200511D+01 -0.201423D+01  0.420945D+01
               116           117           118           119           120 
      1   0.218091D+01  0.420945D+01 -0.692667D+00  0.183143D+01  0.147131D+01
      2  -0.361941D+01 -0.153728D+01  0.183143D+01 -0.330448D+01  0.285213D+00
      3  -0.153728D+01 -0.863772D+01  0.147131D+01  0.285213D+00  0.159055D+00
               121           122           123           124           125 
      1   0.250478D+01 -0.344367D+01  0.293909D+00  0.493415D+01 -0.999962D+00
      2  -0.344367D+01  0.369493D+01  0.107507D+01 -0.999962D+00  0.194234D+01
      3   0.293909D+00  0.107507D+01 -0.233317D+00  0.221445D+01 -0.216291D+01
               126           127           128           129           130 
      1   0.221445D+01 -0.208925D+01 -0.113527D+01 -0.159688D+01 -0.174796D+01
      2  -0.216291D+01 -0.113527D+01 -0.103750D+01 -0.107612D+01 -0.912919D+00
      3   0.474396D+01 -0.159688D+01 -0.107612D+01 -0.145238D+01 -0.156474D+01
               131           132           133           134           135 
      1  -0.912919D+00 -0.156474D+01 -0.204038D+01 -0.118317D+01 -0.206391D+01
      2  -0.157385D+01 -0.165765D+01 -0.118317D+01 -0.236599D+01 -0.276561D+01
      3  -0.165765D+01 -0.276708D+01 -0.206391D+01 -0.276561D+01 -0.538575D+01
               136           137           138           139           140 
      1   0.367293D+01 -0.250002D+00 -0.202068D+01 -0.573311D+00  0.225788D+00
      2  -0.250002D+00  0.525923D+00  0.235977D+00  0.225788D+00 -0.498356D+00
      3  -0.202068D+01  0.235977D+00  0.206500D+01  0.597822D+00 -0.501875D+00
               141           142           143           144           145 
      1   0.597822D+00 -0.284913D+01  0.728313D+00  0.276538D+01  0.214262D+01
      2  -0.501875D+00  0.728313D+00 -0.111219D+01 -0.114290D+01  0.129077D+01
      3  -0.154680D+01  0.276538D+01 -0.114290D+01 -0.512863D+01  0.179377D+01
               146           147           148           149           150 
      1   0.129077D+01  0.179377D+01  0.135508D+01  0.781150D+00  0.149816D+01
      2   0.102170D+01  0.112144D+01  0.781150D+00  0.115205D+01  0.153501D+01
      3   0.112144D+01  0.189924D+01  0.149816D+01  0.153501D+01  0.299210D+01
               151           152           153           154           155 
      1   0.192782D+01  0.118720D+01  0.227825D+01 -0.319935D+01  0.286524D+00
      2   0.118720D+01  0.220283D+01  0.272390D+01  0.286524D+00 -0.344744D+00
      3   0.227825D+01  0.272390D+01  0.637397D+01  0.255742D+01 -0.215829D+00
               156           157           158           159           160 
      1   0.255742D+01  0.273230D+00 -0.208146D+00 -0.452968D+00  0.314793D+01
      2  -0.215829D+00 -0.208146D+00  0.316591D+00  0.483662D+00 -0.708206D+00
      3  -0.306943D+01 -0.452968D+00  0.483662D+00  0.161583D+01 -0.331366D+01
               161           162           163           164           165 
      1  -0.708206D+00 -0.331366D+01 -0.233859D+01 -0.911660D-01  0.158367D+01
      2   0.100077D+01  0.110363D+01 -0.911660D-01 -0.759745D+00  0.616198D+00
      3   0.110363D+01  0.665702D+01  0.158367D+01  0.616198D+00 -0.180496D+01
               166           167           168           169           170 
      1   0.187210D+01 -0.648685D+00  0.204059D+00  0.411126D+01  0.806764D+00
      2  -0.648685D+00 -0.909403D+00  0.678373D+00  0.806764D+00  0.135676D+01
      3   0.204059D+00  0.678373D+00 -0.862129D-01 -0.221702D+01 -0.152700D+01
               171           172           173           174           175 
      1  -0.221702D+01 -0.189656D+01 -0.122419D+01 -0.593799D+00 -0.373722D+01
      2  -0.152700D+01 -0.122419D+01 -0.940499D+00  0.387824D-01 -0.281424D+01
      3   0.582959D+01 -0.593799D+00  0.387824D-01 -0.256940D+00 -0.335235D+00
               176           177           178           179           180 
      1  -0.281424D+01 -0.335235D+00 -0.483915D+01 -0.964010D+00 -0.114743D+01
      2  -0.850497D+01 -0.974066D+00 -0.964010D+00 -0.244321D+01 -0.126496D+01
      3  -0.974066D+00 -0.945521D+00 -0.114743D+01 -0.126496D+01 -0.419636D+00
               181           182           183           184           185 
      1   0.226650D+01 -0.766844D+00 -0.118419D+01 -0.160819D+01  0.197474D+00
      2  -0.766844D+00  0.504707D+00 -0.264005D+00  0.197474D+00  0.560014D+00
      3  -0.118419D+01 -0.264005D+00  0.148973D+01 -0.193937D+00 -0.643878D+00
               186           187           188           189           190 
      1  -0.193937D+00 -0.250174D+01 -0.204659D+00  0.970885D+00 -0.138492D+01
      2  -0.643878D+00 -0.204659D+00 -0.114966D+01  0.184985D-01  0.944313D+00
      3   0.135402D+00  0.970885D+00  0.184985D-01 -0.684971D+01  0.132014D+01
               191           192           193           194           195 
      1   0.944313D+00  0.132014D+01  0.399805D+00 -0.494390D+00  0.474197D-01
      2  -0.972817D+00 -0.307523D+00 -0.494390D+00  0.435496D+00  0.548645D+00
      3  -0.307523D+00 -0.195103D+01  0.474197D-01  0.548645D+00  0.238713D+00
               196           197           198           199           200 
      1   0.265297D+01 -0.697867D+00 -0.229019D+01 -0.404064D+01  0.317927D+01
      2  -0.697867D+00  0.189233D+01  0.156016D+01  0.317927D+01 -0.308763D+01
      3  -0.229019D+01  0.156016D+01  0.611129D+01 -0.145343D+01  0.106162D+01
               201           202           203           204           205 
      1  -0.145343D+01  0.296464D+01 -0.302935D+01  0.121001D+01 -0.294142D+01
      2   0.106162D+01 -0.302935D+01  0.440140D+01 -0.178759D+01  0.198305D+01
      3  -0.149533D+01  0.121001D+01 -0.178759D+01  0.137758D+01 -0.198542D+01
               206           207           208           209           210 
      1   0.198305D+01 -0.198542D+01  0.797397D+01  0.156598D+01  0.231412D+00
      2  -0.314166D+01  0.183968D+01  0.156598D+01  0.288196D+01  0.133354D+00
      3   0.183968D+01 -0.167413D+01  0.231412D+00  0.133354D+00  0.522665D+00
               211           212           213           214           215 
      1   0.159170D+01  0.149368D+01  0.133208D+00  0.400571D+00  0.573666D-02
      2   0.149368D+01  0.209024D+01 -0.138869D+00  0.573666D-02 -0.341325D+00
      3   0.133208D+00 -0.138869D+00  0.638872D+00  0.243258D-01  0.686508D+00
               216           217           218           219           220 
      1   0.243258D-01 -0.309309D+01 -0.131523D+00  0.167245D+01  0.386977D+00
      2   0.686508D+00 -0.131523D+00 -0.636067D+00  0.364539D+00 -0.960712D+00
      3   0.368130D+00  0.167245D+01  0.364539D+00 -0.197876D+01  0.276029D+00
               221           222           223           224           225 
      1  -0.960712D+00  0.276029D+00  0.499440D+01  0.989132D+00 -0.329625D+01
      2  -0.776856D+00  0.372473D+00  0.989132D+00  0.127177D+01 -0.650475D+00
      3   0.372473D+00 -0.170125D+00 -0.329625D+01 -0.650475D+00  0.523866D+01
               226           227           228           229           230 
      1  -0.202354D+00 -0.699794D+00 -0.331606D+00 -0.280389D+01 -0.262010D+01
      2  -0.699794D+00 -0.396218D+00 -0.391442D-01 -0.262010D+01 -0.770956D+01
      3  -0.331606D+00 -0.391442D-01 -0.399871D+00 -0.788873D+00 -0.245722D+01
               231           232           233           234           235 
      1  -0.788873D+00 -0.130409D+01 -0.655505D+00 -0.132720D+01 -0.645836D+01
      2  -0.245722D+01 -0.655505D+00 -0.264890D+01 -0.163654D+01  0.183083D+01
      3  -0.191028D+01 -0.132720D+01 -0.163654D+01 -0.135638D+01 -0.252445D+01
               236           237           238           239           240 
      1   0.183083D+01 -0.252445D+01  0.538402D+01 -0.202909D+01  0.191609D+01
      2  -0.134890D+01  0.910606D+00 -0.202909D+01  0.159066D+01 -0.138921D+01
      3   0.910606D+00 -0.209264D+01  0.191609D+01 -0.138921D+01  0.165867D+01
               241           242           243           244           245 
      1  -0.461913D+01  0.107857D+01 -0.327671D+01 -0.153879D+00  0.291698D+00
      2   0.107857D+01 -0.163569D+01  0.902362D+00  0.291698D+00  0.753401D+00
      3  -0.327671D+01  0.902362D+00 -0.247352D+01  0.163293D+01  0.326810D+00
               246           247           248           249           250 
      1   0.163293D+01  0.512194D+00  0.130817D+01  0.475656D+00  0.317144D+01
      2   0.326810D+00  0.130817D+01  0.175178D+01  0.116015D+01  0.724718D+00
      3   0.104556D+01  0.475656D+00  0.116015D+01  0.175974D+01  0.162769D+01
               251           252           253           254           255 
      1   0.724718D+00  0.162769D+01 -0.778768D+01 -0.552600D+01  0.839301D+00
      2   0.185418D+01  0.168134D+01 -0.552600D+01  0.172769D+01  0.422215D+00
      3   0.168134D+01  0.512122D+01  0.839301D+00  0.422215D+00  0.898883D+00
               256           257           258           259           260 
      1  -0.190938D+01  0.328536D+01 -0.561322D+00 -0.325552D+01 -0.997032D+00
      2   0.328536D+01 -0.733794D+00 -0.185972D+01 -0.997032D+00 -0.314172D+01
      3  -0.561322D+00 -0.185972D+01  0.268867D+01  0.219375D+01  0.249376D+01
               261           262           263           264           265 
      1   0.219375D+01  0.413432D+01 -0.324826D+01  0.110113D+01 -0.427875D+01
      2   0.249376D+01 -0.324826D+01  0.333738D+01 -0.744115D+00  0.464874D+01
      3   0.275595D+01  0.110113D+01 -0.744115D+00  0.103291D+01 -0.103228D+01
               266           267           268           269           270 
      1   0.464874D+01 -0.103228D+01 -0.983028D+00  0.101356D+01  0.426368D+00
      2  -0.658133D+01  0.131763D+01  0.101356D+01 -0.111021D+01 -0.446545D+00
      3   0.131763D+01 -0.155594D+01  0.426368D+00 -0.446545D+00  0.478214D+00
               271           272           273           274           275 
      1  -0.145730D+01  0.191821D+01  0.110289D+00  0.198867D+01 -0.142068D+01
      2   0.191821D+01 -0.365218D+01  0.305633D+00 -0.142068D+01  0.657327D+01
      3   0.110289D+00  0.305633D+00 -0.830977D+00 -0.624276D-01 -0.742898D-01
               276           277           278           279           280 
      1  -0.624276D-01  0.875175D+00 -0.163850D-02 -0.424521D+00  0.259167D+00
      2  -0.742898D-01 -0.163850D-02  0.155532D+01  0.457566D+00  0.174122D+00
      3   0.766366D+00 -0.424521D+00  0.457566D+00 -0.326896D-02 -0.690235D+00
               281           282           283           284           285 
      1   0.174122D+00 -0.690235D+00 -0.803462D+00 -0.523488D+00  0.101697D+00
      2  -0.518536D+00  0.114884D+00 -0.523488D+00 -0.784497D+00 -0.164227D+00
      3   0.114884D+00 -0.813307D+00  0.101697D+00 -0.164227D+00 -0.131143D+01
               286           287           288           289           290 
      1  -0.181085D+01 -0.398309D+00  0.815982D-01  0.120225D+02  0.514258D+01
      2  -0.398309D+00 -0.158952D+01  0.153400D+00  0.514258D+01  0.358148D+01
      3   0.815982D-01  0.153400D+00 -0.617839D+01 -0.157535D+01 -0.993536D+00
               291           292           293           294           295 
      1  -0.157535D+01  0.335762D+01  0.244918D+01 -0.460463D+00  0.377849D-01
      2  -0.993536D+00  0.244918D+01  0.248301D+01 -0.327415D+00  0.134746D-01
      3   0.137148D+01 -0.460463D+00 -0.327415D+00  0.225450D+00  0.965996D+00
               296           297 
      1   0.134746D-01  0.965996D+00
      2   0.381660D+00  0.381044D+00
      3   0.381044D+00 -0.514854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.191808D+01  0.656241D+00 -0.264427D+01  0.587542D+01  0.919825D+00
      2  -0.143223D+02  0.194510D+01  0.804714D+01  0.438205D+01 -0.520443D+00
      3  -0.299061D+01 -0.340384D+01 -0.365794D+01  0.130119D+02 -0.156932D+00
                 6             7             8             9            10 
      1  -0.273969D+01 -0.491809D+01  0.225598D+01  0.799194D+00 -0.547476D+01
      2  -0.921222D+00  0.431391D+01 -0.132392D+01 -0.444497D+01  0.187895D+02
      3  -0.347795D+01 -0.218638D+01  0.114878D+01  0.461532D+01  0.186514D+01
                11            12            13            14            15 
      1   0.621695D+00  0.189951D+01  0.928093D+00 -0.507632D+01 -0.757386D+01
      2   0.180288D+01 -0.343070D+01 -0.357707D+00  0.160542D+01 -0.199769D+01
      3   0.192378D+01  0.636523D+00  0.127360D+02 -0.268529D+00 -0.107007D+01
                16            17            18            19            20 
      1   0.881190D+01  0.535435D-01  0.420114D+01 -0.739982D+00 -0.801167D+00
      2  -0.231961D+02 -0.195738D+01  0.282474D+01  0.920214D+01  0.276718D+01
      3   0.614167D+01 -0.155026D+01 -0.361182D+01 -0.484706D+01 -0.151584D+01
                21            22            23            24            25 
      1   0.799621D+00 -0.725023D+01 -0.384982D+01 -0.213375D+01  0.121300D+01
      2   0.505331D+01  0.821668D+01  0.364888D+01  0.190916D+01  0.318262D+01
      3  -0.484675D+00  0.111484D+02  0.276901D+01  0.234837D+01 -0.612092D+01
                26            27            28            29            30 
      1   0.230634D+01 -0.183661D+01  0.278113D+01  0.273641D+01  0.418719D+01
      2   0.179447D+01  0.188723D+01 -0.159375D+02 -0.387728D+01 -0.160226D+01
      3  -0.712095D+00 -0.200293D+01 -0.267495D+01  0.222205D+00  0.143212D+01
                31            32            33            34            35 
      1   0.659636D+01 -0.167807D+01 -0.806855D+01  0.621395D+01  0.128057D+00
      2  -0.692276D+01 -0.519744D+01 -0.231092D+01 -0.246756D+02 -0.243151D+01
      3   0.100744D+02  0.503871D+01 -0.203457D+00  0.315937D+01  0.297785D+01
                36            37            38            39            40 
      1   0.384368D+01 -0.396260D+01 -0.293908D-01 -0.103141D+01  0.436700D+01
      2   0.268589D+01  0.595195D+01  0.476214D+01  0.445968D+01  0.464464D+01
      3  -0.304781D+01 -0.177055D+01 -0.270969D+01 -0.314722D+01  0.977344D+01
                41            42            43            44            45 
      1   0.394238D+01 -0.838788D+00 -0.440160D+00  0.237473D+01  0.235903D+00
      2   0.612597D+00 -0.103966D+00 -0.128842D+02 -0.288821D+01 -0.399950D+00
      3  -0.828233D+00 -0.386044D+01  0.187520D+01 -0.138666D+01  0.335144D+01
                46            47            48            49            50 
      1   0.497181D+01 -0.216940D+01 -0.872870D+00 -0.688408D+01 -0.104443D+01
      2  -0.735415D+01 -0.207540D+01  0.398786D+01 -0.487204D+01  0.627045D+00
      3  -0.428600D+01 -0.145144D+01 -0.358037D+00  0.982387D+01  0.238281D+01
                51            52            53            54            55 
      1  -0.200610D+01  0.476125D+01  0.341658D+01 -0.642660D+00  0.479104D+01
      2   0.257694D+01 -0.100839D+02 -0.129096D+01  0.525885D-01 -0.861082D+01
      3   0.361550D+01 -0.673240D+01  0.649828D+00 -0.164597D+01 -0.110378D+02
                56            57            58            59            60 
      1  -0.138342D+01  0.107410D+01 -0.359442D+01  0.685357D+01 -0.110507D+01
      2   0.110549D+01 -0.267994D+01  0.336995D+01 -0.971343D+01 -0.884127D+00
      3   0.230326D+01 -0.209298D+01  0.247350D+02  0.153835D+02  0.705120D+01
                61            62            63            64            65 
      1   0.470056D+01  0.357877D+01 -0.603992D+01 -0.493105D+01  0.454550D+00
      2  -0.251576D+02 -0.371049D+01  0.178370D+02  0.321161D+01 -0.365501D+01
      3  -0.809947D+01  0.860544D+01 -0.145682D+01  0.231704D+02 -0.768651D+01
                66            67            68            69            70 
      1  -0.224652D+00  0.718967D+00  0.953750D+00 -0.180139D+01 -0.400625D+01
      2   0.172527D+02 -0.101367D+02  0.856561D+01  0.578090D+00  0.201964D+02
      3   0.549898D+01 -0.833318D+01 -0.165946D+02 -0.747120D+01  0.104114D+02
                71            72            73            74            75 
      1   0.470532D+01 -0.396648D+00 -0.409817D+00  0.310647D+01 -0.600862D+01
      2  -0.500622D+00 -0.314761D+02 -0.167466D+01  0.723186D+01 -0.101592D+02
      3  -0.926208D+01  0.234773D+01 -0.288856D+02 -0.861060D+01 -0.515055D+01
                76            77            78            79            80 
      1   0.380871D+01 -0.712485D+01  0.100037D+01 -0.818218D+01  0.638537D+01
      2   0.939765D+01 -0.941196D+01  0.520939D+01 -0.187787D+02  0.770776D+01
      3  -0.267125D+01  0.688875D+01  0.657699D+01 -0.615554D+01  0.930499D+01
                81            82            83            84            85 
      1   0.841725D+01  0.219706D+01 -0.125632D+01  0.358579D+01 -0.242618D+01
      2   0.182316D+02 -0.208912D+01  0.748425D+01 -0.188938D+02  0.960105D+01
      3  -0.200345D+01 -0.199910D+02  0.587043D+01 -0.967783D+01  0.221773D+02
                86            87            88            89            90 
      1  -0.149502D-01 -0.329058D+01  0.531670D+01  0.145010D+00 -0.191542D+01
      2  -0.194037D+02 -0.141460D+01 -0.341367D+02 -0.360472D+01  0.207737D+02
      3   0.286544D+02  0.218144D+02 -0.104522D+02  0.203952D+02 -0.219086D+01
                91            92            93            94            95 
      1  -0.202860D+01 -0.762143D+00  0.234184D+01  0.141013D+01 -0.123024D+00
      2   0.134090D+01  0.149382D+01  0.869852D+00  0.169415D+01  0.542741D+01
      3  -0.120338D+02  0.155565D+01 -0.113634D+01  0.321971D+02 -0.267943D+01
                96            97            98            99           100 
      1  -0.115229D+01  0.505385D+01  0.742763D+01  0.251348D+01  0.228485D+01
      2  -0.965158D+01 -0.153957D+02 -0.107836D+02 -0.114671D+02  0.104344D+00
      3  -0.369477D+01 -0.192615D+01 -0.613105D+01  0.806164D+01  0.238259D+02
               101           102           103           104           105 
      1   0.344314D+01 -0.672286D+01 -0.113770D+01  0.998805D+00 -0.335514D+01
      2  -0.937791D-01 -0.742478D+00  0.896177D+00 -0.306193D+01  0.174569D+02
      3  -0.106028D+02  0.196592D+01 -0.215269D+01 -0.506571D+01  0.415519D+00
               106           107           108           109           110 
      1  -0.314736D+01 -0.708715D+01  0.202277D+01 -0.194200D+01 -0.353910D+01
      2  -0.695285D+01  0.924173D+01  0.169695D+02 -0.106301D+02  0.419106D+00
      3   0.114334D+02 -0.961996D+01 -0.849752D+01 -0.205497D+01 -0.478743D+01
               111           112           113           114           115 
      1   0.330201D+01 -0.104585D+01  0.126563D+01 -0.350726D+01 -0.114934D+00
      2   0.116460D+02 -0.144971D+01 -0.740447D+01 -0.111719D+02  0.550178D+01
      3  -0.206924D+00 -0.510216D+01  0.956360D+01  0.829948D+01 -0.109906D+02
               116           117           118           119           120 
      1   0.915222D+01 -0.631167D+01  0.270242D+01 -0.730253D+00  0.347327D+00
      2  -0.435525D+01 -0.365379D+02  0.629379D+01 -0.354122D+00  0.259241D+01
      3   0.156988D+02  0.694110D+01 -0.891843D+01  0.936027D+01 -0.287512D+01
               121           122           123           124           125 
      1  -0.128190D+01  0.198667D+01 -0.175075D+01 -0.286471D+01  0.762243D+01
      2   0.223213D+01  0.668348D+01 -0.243682D+01  0.102989D+01 -0.592670D+01
      3   0.115027D+02 -0.990704D+01 -0.448426D+01  0.270569D+01 -0.809815D+01
               126           127           128           129           130 
      1   0.483138D+01 -0.552040D+00  0.137958D+01 -0.528839D+00 -0.870693D+00
      2   0.191369D+02 -0.424235D+01 -0.457697D+00 -0.270014D+00 -0.196673D+01
      3   0.701867D+01  0.242029D+01 -0.301315D+00  0.495434D+00  0.336169D+01
               131           132           133           134           135 
      1   0.459216D+00 -0.337427D+01 -0.965992D+00  0.247607D+01 -0.255820D+01
      2   0.193353D+00  0.628201D+00 -0.352035D+01  0.447354D+00  0.212278D+01
      3  -0.103783D+01  0.151912D+00  0.200938D+01 -0.183902D+01 -0.338973D+00
               136           137           138           139           140 
      1  -0.122887D+01 -0.200886D+01  0.184290D+01 -0.243024D+00  0.817618D-01
      2   0.696816D+01 -0.292239D+00 -0.676532D+00  0.885064D+00  0.257758D+00
      3  -0.313228D+01 -0.940846D+00  0.120740D+01  0.824396D+00  0.685798D+00
               141           142           143           144           145 
      1  -0.170693D+01  0.763449D+00  0.328682D+01 -0.114892D+01  0.145985D+01
      2  -0.893243D+00 -0.509556D+01  0.192013D+00 -0.137374D+01 -0.488626D+01
      3  -0.282442D+00  0.162409D+01  0.181939D+01 -0.101110D+01  0.783220D+00
               146           147           148           149           150 
      1   0.255324D+01  0.463582D+00  0.198146D+00  0.146029D+01 -0.166263D+01
      2  -0.140917D+01 -0.719492D+00 -0.296336D+01 -0.625387D+00 -0.380568D+00
      3  -0.824831D+00 -0.726141D-01  0.211513D+01 -0.678337D+00 -0.227943D+00
               151           152           153           154           155 
      1   0.688347D+00  0.460131D+01  0.219461D+00  0.194329D+00 -0.229221D+01
      2  -0.422037D+01 -0.532599D+00  0.726926D+00  0.634311D+01 -0.451683D+00
      3   0.758625D+00 -0.233224D+01 -0.919393D+00 -0.112909D+01 -0.133661D+01
               156           157           158           159           160 
      1   0.661581D+00  0.237538D+00  0.592225D+00 -0.116690D+01 -0.137802D+01
      2  -0.508031D+00  0.463682D+00  0.288087D-01 -0.100804D+01 -0.565196D+01
      3   0.462259D+00  0.160781D+01  0.427987D+00  0.142709D+00  0.600105D-01
               161           162           163           164           165 
      1   0.414711D+01  0.121199D+01  0.182048D+01 -0.414675D+00 -0.197165D+01
      2   0.487300D+00 -0.116497D+01 -0.455600D+01 -0.208932D+01  0.699478D+01
      3   0.201568D+01 -0.517823D+00  0.273067D+01 -0.343145D+01  0.150913D+00
               166           167           168           169           170 
      1   0.784423D+00  0.167168D+00 -0.113426D+01 -0.188987D+01  0.174752D+01
      2  -0.208824D+01 -0.127546D+01 -0.170700D+00  0.616952D+00  0.408339D+01
      3  -0.108265D+01 -0.208260D+01  0.138198D+01 -0.189504D+01  0.416013D+01
               171           172           173           174           175 
      1   0.716757D+01 -0.119512D+01 -0.262334D+00 -0.100643D+01 -0.138805D+01
      2  -0.181882D+02  0.402455D+01  0.696873D+00  0.254489D+01  0.289532D+01
      3  -0.128454D+01 -0.145923D+01 -0.290244D+01  0.417059D+00 -0.153400D+01
               176           177           178           179           180 
      1  -0.479402D+01 -0.437573D+01 -0.196179D+01 -0.169330D+01 -0.134612D+01
      2   0.621305D+01  0.378912D+01  0.398879D+01  0.453916D+01  0.104492D+01
      3  -0.234094D+02 -0.215814D+01  0.187481D+01 -0.719729D+01 -0.226460D+01
               181           182           183           184           185 
      1   0.191461D+01 -0.131316D+01  0.108414D+00 -0.389269D+00 -0.666987D+00
      2   0.101780D+02  0.230378D+00 -0.682848D+01 -0.643847D+00  0.298841D+01
      3  -0.333706D+01  0.136203D+01 -0.673339D+00  0.335828D+01  0.224054D+01
               186           187           188           189           190 
      1  -0.833031D+00 -0.400716D+00  0.333012D+01  0.374896D+00 -0.258575D+01
      2  -0.370830D+00 -0.109222D+02 -0.606921D-01  0.286756D+02 -0.481614D+01
      3  -0.242305D+01 -0.554311D+00 -0.381844D+01  0.201893D+00  0.249579D+01
               191           192           193           194           195 
      1  -0.315469D+00  0.401385D+01  0.106689D+00 -0.103398D+01 -0.184187D+01
      2   0.121910D+01  0.842423D+01 -0.231131D+00 -0.178906D+01 -0.486082D+00
      3  -0.372693D+01  0.420669D+00  0.142195D+00  0.721280D+00  0.170481D+01
               196           197           198           199           200 
      1   0.412102D+01  0.609795D+00 -0.121192D+02  0.267242D+01 -0.156445D+01
      2   0.462863D+01 -0.582333D+01 -0.246487D+02  0.591512D+01 -0.464078D+01
      3   0.186962D+01  0.785949D+01  0.323034D+01  0.611003D+01 -0.989701D+01
               201           202           203           204           205 
      1   0.449232D+01 -0.315214D+01  0.289650D+01 -0.447003D+01  0.391288D+01
      2   0.796773D+01 -0.481085D+01  0.761452D+01 -0.693231D+01  0.692034D+01
      3   0.198922D+01 -0.399443D+01  0.140401D+02 -0.484303D+01  0.258782D+01
               206           207           208           209           210 
      1  -0.152282D+01  0.383456D+01 -0.190157D+01 -0.167196D+00 -0.237559D+01
      2  -0.762654D+01  0.730008D+01 -0.269736D+01 -0.791434D+00 -0.102036D+01
      3  -0.107626D+02  0.453395D+01  0.263727D+02  0.127517D+02  0.133715D+01
               211           212           213           214           215 
      1  -0.780254D+00  0.442895D+00 -0.200776D+01 -0.161725D+01  0.306167D+00
      2  -0.110131D+01  0.310979D+00 -0.113334D+01 -0.346223D+01 -0.208151D+01
      3   0.121308D+02  0.960926D+01 -0.190357D+00  0.161823D+01 -0.108486D+01
               216           217           218           219           220 
      1  -0.112185D+01  0.139748D+01 -0.755547D-01 -0.190082D+01  0.613747D+00
      2  -0.151205D+01 -0.107896D+02 -0.223748D+01  0.134890D+02 -0.165639D+01
      3   0.284162D+01  0.135190D+01 -0.464061D+01  0.775066D+00 -0.369922D+01
               221           222           223           224           225 
      1   0.417403D+00 -0.122381D+01 -0.230537D+01  0.171696D+01  0.408864D+01
      2  -0.220276D+01  0.129795D+01  0.169448D+02  0.373775D+01 -0.321869D+02
      3  -0.348816D+01  0.144152D+01  0.164106D+01  0.744761D+01 -0.884525D+00
               226           227           228           229           230 
      1   0.397444D+00  0.277936D+00 -0.336902D+00  0.726468D+00  0.350708D+01
      2   0.219613D+01 -0.198156D+00  0.247660D+01  0.184587D+01  0.127125D+02
      3  -0.432179D+01 -0.277941D+01 -0.139398D+00 -0.815280D+01 -0.406029D+02
               231           232           233           234           235 
      1  -0.278419D+01 -0.563419D+00  0.164120D+01 -0.677024D+00 -0.280721D+01
      2   0.109051D+02  0.478023D+01  0.857698D+01  0.640004D+01  0.969105D+01
      3  -0.129053D+02 -0.186222D+01 -0.145012D+02 -0.761886D+01  0.136703D+02
               236           237           238           239           240 
      1   0.223266D+01 -0.133116D+01  0.212674D+01 -0.267974D+01  0.631540D+00
      2  -0.396946D+01  0.128279D+02 -0.710701D+01  0.685334D+01 -0.929089D+01
      3  -0.112310D+02  0.680020D+01 -0.122692D+02  0.111244D+02 -0.888767D+01
               241           242           243           244           245 
      1  -0.222166D+01  0.333196D+01 -0.137127D+01 -0.187567D+01 -0.116584D-01
      2   0.139092D+02 -0.444943D+01  0.124904D+02  0.598784D+01  0.141759D+01
      3   0.832605D+01 -0.111708D+02  0.698755D+01 -0.105268D+01 -0.290266D+01
               246           247           248           249           250 
      1  -0.118694D+01 -0.530491D+00 -0.717514D-01 -0.253769D+01 -0.110947D+01
      2   0.339460D+01  0.119508D+01  0.298056D+01  0.570664D+01 -0.258733D+00
      3   0.200218D+00 -0.175632D+01 -0.406023D+01 -0.291516D+01  0.514923D+00
               251           252           253           254           255 
      1   0.154948D+01 -0.502303D+01  0.344433D+01 -0.357217D+01 -0.436728D+01
      2   0.487605D+01  0.158529D+02 -0.577811D+01 -0.467934D+01  0.720270D+01
      3  -0.472729D+01 -0.403285D+01  0.234439D+01 -0.195635D+02 -0.460963D-01
               256           257           258           259           260 
      1  -0.917345D+00  0.697026D+01 -0.640982D+01 -0.453423D+01 -0.116263D+01
      2  -0.641473D+01 -0.519781D+01  0.966978D+01  0.786960D+01  0.988662D+01
      3  -0.159154D+02  0.758490D+01  0.627788D+01  0.757295D+00  0.950664D+01
               261           262           263           264           265 
      1  -0.112443D+02 -0.196455D+01  0.253472D+01  0.145014D+01  0.357819D+01
      2   0.117237D+02  0.114991D+01 -0.517868D+00  0.402498D+01 -0.360390D+00
      3  -0.574275D+01  0.829718D+01 -0.112485D+02  0.291240D+01 -0.128691D+02
               266           267           268           269           270 
      1  -0.484550D+01 -0.181451D+01  0.350506D-01  0.782608D-01 -0.112002D+01
      2   0.140606D+01 -0.625394D+01  0.102263D+01 -0.151511D+01  0.650554D+00
      3   0.239319D+02 -0.447329D+01 -0.305361D+01  0.439432D+01  0.142302D+01
               271           272           273           274           275 
      1  -0.252285D+01  0.282412D+01  0.346912D+01  0.192442D+01 -0.603062D+01
      2  -0.161730D+01  0.254691D+01 -0.156010D+01  0.199872D+01 -0.234532D+01
      3  -0.115930D+02  0.139549D+02 -0.491479D-01  0.113110D+02 -0.229622D+02
               276           277           278           279           280 
      1  -0.359711D+01  0.205036D+01 -0.837358D+00 -0.912162D+00  0.232913D+01
      2   0.123834D+01 -0.211590D+01  0.785417D+00 -0.406786D+00 -0.386621D+01
      3  -0.202113D+00  0.243296D+01 -0.460664D+01 -0.247602D+01 -0.523348D+00
               281           282           283           284           285 
      1   0.131602D+01  0.205359D+01  0.128507D+01  0.351908D+01  0.252490D+01
      2  -0.342161D+00 -0.312382D+01 -0.258801D+01 -0.145630D+01 -0.466124D+01
      3   0.144571D+01 -0.125382D+01  0.171162D+01  0.167030D+01  0.505273D+00
               286           287           288           289           290 
      1   0.123467D+01  0.485821D+01  0.141388D+02 -0.115401D+01 -0.146787D+01
      2  -0.442456D+01 -0.486702D+00 -0.198945D+02  0.445968D+01  0.391743D+00
      3  -0.173822D+01  0.392682D+01 -0.667094D+00  0.617501D+01 -0.548016D+01
               291           292           293           294           295 
      1  -0.358258D+01 -0.133444D+01 -0.178250D+01 -0.133612D+01 -0.182907D+01
      2   0.640205D+01  0.195267D+01  0.875739D+00  0.150842D+01  0.186381D+01
      3   0.938075D+00 -0.468666D-01 -0.446952D+01 -0.199467D-01 -0.346341D-01
               296           297 
      1   0.295676D+00  0.126685D+01
      2   0.567631D+00 -0.162230D+01
      3  -0.111027D+01  0.661427D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.563334D+01 -0.362646D+01 -0.179121D+02  0.104269D+02 -0.117225D+02
      2  -0.125874D+00 -0.348560D+00  0.288209D+01 -0.879868D+00  0.189708D+02
      3   0.575922D+01  0.397502D+01  0.150300D+02 -0.954704D+01 -0.724828D+01
      4  -0.656902D+01 -0.295045D+01 -0.773612D+01  0.245639D+01 -0.143440D+01
      5  -0.164076D+02 -0.669589D+01  0.847059D+00 -0.738830D+01 -0.206308D+01
      6  -0.935120D+01 -0.490101D+00 -0.101201D+01 -0.306972D+01  0.845620D+00
                 6             7             8             9            10 
      1  -0.384827D+01  0.293072D+02  0.110670D+02  0.134114D+02  0.580188D+02
      2   0.806918D+01 -0.785459D+01 -0.207248D+01 -0.600921D+01 -0.217355D+02
      3  -0.422092D+01 -0.214527D+02 -0.899456D+01 -0.740221D+01 -0.362833D+02
      4  -0.132849D+01  0.469504D+01  0.113509D+01 -0.434853D+01  0.703421D+01
      5  -0.711812D+01  0.123310D+02 -0.393557D+01 -0.424212D+01  0.663953D+01
      6   0.148714D+01 -0.585800D+01 -0.417291D+01 -0.110156D+02  0.574195D+00
                11            12            13            14            15 
      1   0.568295D+01  0.390762D+01  0.259258D+01 -0.217067D+01 -0.599494D+01
      2  -0.809766D+00  0.337843D+01  0.360071D+01  0.767483D+01  0.280831D+01
      3  -0.487318D+01 -0.728605D+01 -0.619330D+01 -0.550416D+01  0.318663D+01
      4   0.184540D+00  0.365513D+01  0.156702D+02  0.424979D+01  0.441228D+00
      5   0.475667D+01  0.571823D+01 -0.844357D+01  0.777469D+00  0.181389D+01
      6   0.640440D+00  0.222704D+01 -0.740214D+01 -0.538714D+01  0.919439D+01
                16            17            18            19            20 
      1   0.932149D+01 -0.666150D+01 -0.149881D+02  0.550378D+01  0.110339D+02
      2  -0.438823D+01 -0.439285D+01  0.396053D+00  0.409354D+01 -0.906340D+01
      3  -0.493326D+01  0.110543D+02  0.145920D+02 -0.959732D+01 -0.197052D+01
      4  -0.115318D+02  0.372528D+00 -0.600626D+00  0.165019D+01  0.566279D+01
      5  -0.110424D+02  0.259939D+00 -0.351586D+01  0.168604D+02  0.278797D+01
      6  -0.234230D+01  0.142421D+01  0.550964D+01  0.671149D+01 -0.188490D+01
                21            22            23            24            25 
      1   0.189772D+02 -0.874537D+01 -0.349249D+01  0.144314D+02 -0.200950D+02
      2  -0.869549D+01 -0.225321D+01  0.636417D+01  0.513113D+00  0.335099D+01
      3  -0.102817D+02  0.109986D+02 -0.287169D+01 -0.149445D+02  0.167440D+02
      4   0.407988D+01  0.671178D+01 -0.617211D+01 -0.759808D+00 -0.247113D+01
      5  -0.457431D+01  0.838374D+01  0.114582D+01  0.673688D+00  0.934198D+01
      6  -0.450574D+01  0.340889D+01 -0.291127D+00  0.440899D+01  0.124485D+02
                26            27            28            29            30 
      1   0.369898D+01  0.512113D+01  0.132774D+02  0.314622D+01 -0.409610D+01
      2  -0.638493D+00  0.122370D+01 -0.107962D+01  0.704186D-01 -0.102851D+01
      3  -0.306049D+01 -0.634483D+01 -0.121978D+02 -0.321664D+01  0.512461D+01
      4   0.101859D+00  0.709739D+01  0.760414D+01  0.310876D+01  0.113619D+01
      5   0.615903D+01  0.609966D+01 -0.167999D+01  0.125411D+01  0.657142D+01
      6   0.588226D+01 -0.721644D+01 -0.742153D+01  0.212496D+01  0.263040D+01
                31            32            33            34            35 
      1  -0.678714D+01 -0.135730D+01 -0.736782D+01  0.380838D+01 -0.520329D+01
      2   0.647376D+01  0.553610D+01 -0.270614D-01 -0.602555D+01 -0.728087D+01
      3   0.313379D+00 -0.417880D+01  0.739488D+01  0.221717D+01  0.124842D+02
      4   0.190883D+02 -0.279253D+00 -0.256122D+01 -0.113596D+02 -0.659118D+01
      5  -0.131125D+02 -0.200494D+01  0.225733D+01 -0.128744D+02  0.666636D+00
      6  -0.187645D+01 -0.342899D+01  0.789951D+01 -0.599677D+01  0.943648D+00
                36            37            38            39            40 
      1  -0.194109D+02  0.907641D+01 -0.136301D+01 -0.231292D+02  0.472457D+01
      2   0.406920D+01 -0.851832D+01 -0.151702D+01  0.243345D+01  0.479513D+01
      3   0.153417D+02 -0.558094D+00  0.288003D+01  0.206958D+02 -0.951970D+01
      4   0.129389D+01 -0.823765D+01 -0.444100D+01 -0.867205D+01  0.977688D+01
      5   0.172330D+01 -0.698958D+01 -0.621902D+01 -0.426835D+01 -0.532109D+01
      6   0.698376D+01 -0.585301D+01  0.745860D+00 -0.544415D+01 -0.283220D+01
                41            42            43            44            45 
      1  -0.102525D+02  0.603332D+00  0.211238D+02  0.850325D+01  0.828469D+01
      2   0.137398D+02  0.776862D+01 -0.137119D+01  0.274336D+01 -0.548440D+01
      3  -0.348736D+01 -0.837196D+01 -0.197526D+02 -0.112466D+02 -0.280029D+01
      4   0.677757D+00 -0.167810D+01 -0.877978D+00  0.418333D+01 -0.489874D+01
      5  -0.129514D+01 -0.109599D+02  0.674922D+01 -0.562688D+01 -0.425118D+01
      6   0.361799D+01  0.571609D+01 -0.870567D+01 -0.329843D+01 -0.131366D+02
                46            47            48            49            50 
      1  -0.415330D+01  0.719139D+01  0.189963D+02 -0.250035D+02 -0.504326D+01
      2   0.810698D+01 -0.377122D+01 -0.801391D+01  0.806550D+01  0.400112D+01
      3  -0.395369D+01 -0.342017D+01 -0.109824D+02  0.169380D+02  0.104213D+01
      4  -0.175285D+01  0.753065D+01  0.368549D+01  0.103989D+02 -0.397662D+01
      5   0.106487D+02  0.848582D+00 -0.963018D+01  0.334027D+01 -0.269999D+01
      6   0.387816D+01 -0.444570D+01 -0.678026D+01  0.495475D+00 -0.116756D+01
                51            52            53            54            55 
      1   0.188572D+02 -0.313850D+02  0.296880D+01 -0.206649D+01 -0.535473D+02
      2   0.115148D+01  0.452174D+01  0.576144D+00  0.406534D+01  0.220064D+02
      3  -0.200087D+02  0.268633D+02 -0.354494D+01 -0.199885D+01  0.315408D+02
      4  -0.945629D+00 -0.548612D+01 -0.179742D+01  0.518769D+01  0.563572D+01
      5   0.170479D+01 -0.620486D+00  0.494435D+01  0.899958D+01 -0.592109D+01
      6   0.101153D+02  0.956425D+01  0.715667D+01 -0.100844D+02 -0.167629D+01
                56            57            58            59            60 
      1   0.745391D+01 -0.499573D+01  0.421491D+02 -0.231159D+00  0.114383D+02
      2  -0.471167D+01 -0.549687D+00 -0.311126D+02 -0.173619D+02 -0.103665D+02
      3  -0.274224D+01  0.554541D+01 -0.110365D+02  0.175930D+02 -0.107183D+01
      4  -0.934874D+01  0.410220D+01 -0.258179D+02 -0.393224D+02 -0.108754D+02
      5   0.367902D+01 -0.145062D+02  0.101466D+02 -0.109298D+02 -0.154415D+01
      6   0.136414D+01 -0.354149D+01 -0.249340D+00 -0.664612D+01 -0.956468D+00
                61            62            63            64            65 
      1  -0.336814D+02  0.899685D+01 -0.136263D+02 -0.642669D+01 -0.354236D+02
      2   0.722838D+01 -0.110629D+02  0.124969D+02  0.857454D+01  0.174944D+02
      3   0.264530D+02  0.206609D+01  0.112940D+01 -0.214785D+01  0.179293D+02
      4   0.684704D+01 -0.165418D+02 -0.857884D+01 -0.395875D+02  0.659550D+01
      5  -0.319347D+02 -0.816467D+01  0.372039D+02 -0.650279D+01 -0.111864D+02
      6  -0.652245D+01 -0.385088D+01  0.909741D+01 -0.332254D+01 -0.270814D+01
                66            67            68            69            70 
      1  -0.103402D+02 -0.783169D+02  0.121124D+02 -0.134512D+02  0.984970D+01
      2   0.134585D+01  0.416449D+02 -0.671891D+01  0.592984D+01 -0.430505D+01
      3   0.899434D+01  0.366720D+02 -0.539345D+01  0.752132D+01 -0.554465D+01
      4  -0.101134D+02  0.150060D+02  0.361441D+02  0.147154D+02 -0.122343D+02
      5   0.239785D+02 -0.213630D+02  0.154960D+02 -0.143048D+01  0.459138D+02
      6  -0.176959D+01  0.279226D+01 -0.850306D+00  0.262196D-01 -0.135596D+00
                71            72            73            74            75 
      1  -0.831857D+01  0.454435D+02  0.373846D+02  0.353891D+02 -0.264218D+01
      2   0.230701D+01 -0.133785D+02 -0.299250D+02 -0.155422D+02 -0.414884D+01
      3   0.601156D+01 -0.320649D+02 -0.745957D+01 -0.198469D+02  0.679101D+01
      4   0.171376D+02 -0.864711D+00  0.314070D+02 -0.188554D+02  0.126487D+02
      5  -0.117674D-01 -0.489774D+02 -0.454682D+01  0.128350D+02 -0.244206D+02
      6   0.574015D+01  0.104215D+00  0.755284D+01 -0.443623D+01  0.118773D+02
                76            77            78            79            80 
      1   0.430984D+02 -0.173736D+02  0.663098D+01 -0.553353D+01  0.861897D+01
      2  -0.188157D+02  0.120061D+02  0.336799D+01 -0.629722D+01  0.323952D+01
      3  -0.242827D+02  0.536751D+01 -0.999897D+01  0.118307D+02 -0.118585D+02
      4  -0.247685D+02 -0.859484D+01 -0.226465D+02  0.148137D+02 -0.298601D+02
      5   0.153955D+02 -0.212749D+02  0.970115D+01 -0.365636D+02  0.162850D+02
      6  -0.807293D+01  0.124654D+02 -0.363698D+01  0.138562D+02 -0.773161D+01
                81            82            83            84            85 
      1  -0.274624D+02  0.170720D+02  0.414524D+02  0.149262D+01  0.607614D+02
      2   0.166125D+02 -0.305013D+01 -0.239005D+02  0.255241D+01 -0.364086D+02
      3   0.108500D+02 -0.140219D+02 -0.175520D+02 -0.404503D+01 -0.243528D+02
      4   0.230286D+02  0.448473D+02 -0.694400D+01  0.194458D+02 -0.223855D+02
      5   0.393652D+02 -0.244616D+01  0.212225D+02 -0.404712D+02  0.279952D+02
      6  -0.119409D+02  0.600816D+01 -0.852722D+00 -0.947119D+00 -0.565348D+01
                86            87            88            89            90 
      1  -0.895233D+01  0.275809D+02 -0.446184D+01  0.236246D+02 -0.555803D+02
      2  -0.319717D-01 -0.191993D+02  0.503449D+01 -0.169009D+02  0.279047D+02
      3   0.898430D+01 -0.838164D+01 -0.572651D+00 -0.672363D+01  0.276756D+02
      4  -0.501859D+02 -0.358888D+02  0.215052D+02 -0.331110D+02 -0.346986D+01
      5  -0.385431D+02  0.319345D+01 -0.621628D+02 -0.202067D+01  0.346889D+02
      6  -0.122467D+02 -0.719682D+01 -0.227154D+01 -0.742565D+01  0.528647D+01
                91            92            93            94            95 
      1   0.360307D+01  0.159996D+02 -0.724530D+01  0.269949D+02 -0.138336D+02
      2  -0.157997D+01 -0.119187D+02  0.493343D+01 -0.166667D+02  0.481067D+01
      3  -0.202310D+01 -0.408085D+01  0.231188D+01 -0.103282D+02  0.902289D+01
      4   0.114432D+02 -0.834154D+01  0.657958D+00 -0.392870D+02 -0.841902D+00
      5  -0.580527D+01  0.684642D+00 -0.490648D+01  0.799356D+01  0.463444D+01
      6   0.312829D+00  0.111618D+01 -0.582269D+01  0.522958D+01  0.645770D+01
                96            97            98            99           100 
      1  -0.146851D+01 -0.170497D+01 -0.247179D+01  0.163561D+01 -0.567002D+01
      2   0.301569D+01  0.721769D+01  0.102833D+02 -0.218248D+01  0.597224D+01
      3  -0.154718D+01 -0.551272D+01 -0.781151D+01  0.546871D+00 -0.302220D+00
      4   0.475911D+01  0.104571D+02  0.129903D+02 -0.221984D+02  0.442202D+01
      5  -0.184148D+02 -0.123702D+02 -0.213813D+02 -0.238759D+02  0.131858D+02
      6  -0.903540D+01 -0.120857D+02 -0.113933D+02 -0.845655D+01 -0.423496D+00
               101           102           103           104           105 
      1  -0.455658D+01  0.835559D+01  0.755826D+01  0.173216D+02 -0.183064D+01
      2   0.347663D+01 -0.630101D+01 -0.103703D+02 -0.569815D+01  0.210630D+01
      3   0.107994D+01 -0.205458D+01  0.281205D+01 -0.116235D+02 -0.275656D+00
      4   0.782712D+01 -0.479807D+00  0.180076D+02 -0.930704D+01 -0.231658D+01
      5  -0.140854D+00 -0.169269D+02  0.139536D-01 -0.211960D+01  0.330127D+02
      6  -0.239556D+00  0.919389D+01 -0.254840D+01  0.297004D+01 -0.746537D+01
               106           107           108           109           110 
      1   0.320873D+02 -0.126595D+02 -0.168005D+02  0.447346D+02 -0.955786D+01
      2  -0.129397D+02  0.197703D+00  0.152408D+02 -0.258158D+02  0.415863D+01
      3  -0.191476D+02  0.124618D+02  0.155971D+01 -0.189188D+02  0.539923D+01
      4  -0.214755D+02  0.199016D+02  0.205752D+02 -0.154423D+02  0.124468D+02
      5  -0.373830D+02  0.210517D+02  0.269118D+02 -0.374887D+02  0.245381D+01
      6   0.121705D+02 -0.143439D+02 -0.451380D+01  0.720195D+01 -0.319479D+01
               111           112           113           114           115 
      1  -0.269059D+02 -0.132331D+02  0.110829D+01 -0.789157D+00 -0.517395D+02
      2   0.182641D+02  0.389792D+01  0.430435D+01 -0.673711D+00  0.289544D+02
      3   0.864185D+01  0.933521D+01 -0.541264D+01  0.146287D+01  0.227851D+02
      4   0.492753D+01  0.190104D+02 -0.164081D+02 -0.167547D+02  0.230880D+02
      5   0.310925D+02  0.871380D+01 -0.174711D+02 -0.214707D+02  0.474016D+02
      6  -0.588858D+01 -0.370958D+01  0.866240D+01  0.146411D+02 -0.825090D+01
               116           117           118           119           120 
      1   0.814240D+01  0.131621D+02  0.375573D+01  0.865480D+01  0.154932D+02
      2  -0.206166D+01 -0.239509D+02 -0.111468D+02  0.401410D+01 -0.110599D+02
      3  -0.608074D+01  0.107888D+02  0.739106D+01 -0.126689D+02 -0.443323D+01
      4  -0.321257D+02 -0.137173D+02  0.171846D+02 -0.238536D+02 -0.407511D+00
      5  -0.138095D+02 -0.758138D+02  0.144878D+02  0.313013D+01  0.107271D+02
      6   0.157872D+02  0.194992D+02 -0.915184D+00 -0.156341D+01 -0.153370D+01
               121           122           123           124           125 
      1   0.197924D+02 -0.301716D+02  0.782824D+01  0.270064D+02  0.248724D+01
      2   0.784369D+00  0.849199D+01 -0.480868D+01 -0.165109D+02 -0.316151D+01
      3  -0.205768D+02  0.216796D+02 -0.301956D+01 -0.104954D+02  0.674263D+00
      4  -0.291274D+02  0.333069D+02  0.705322D+01 -0.139073D+02  0.172275D+02
      5   0.687761D+00  0.672396D+01 -0.637754D+01  0.324835D+02 -0.185690D+02
      6  -0.106495D+01 -0.539672D+01  0.917445D+01 -0.836661D+01  0.154006D+02
               126           127           128           129           130 
      1   0.508716D+01  0.661229D+00 -0.309086D+01 -0.220550D+01 -0.467714D+00
      2  -0.142626D+02 -0.106033D+01  0.277651D+01 -0.706669D-02 -0.112600D+00
      3   0.917545D+01  0.399098D+00  0.314344D+00  0.221257D+01  0.580314D+00
      4  -0.157867D+02  0.423659D+01  0.455969D+01  0.437251D+01  0.428993D+01
      5   0.445412D+02  0.760543D+01  0.472949D+01  0.845585D+01  0.623939D+01
      6  -0.156452D+02  0.516841D+01  0.459171D+01  0.602761D+01  0.485381D+01
               131           132           133           134           135 
      1  -0.780993D+01 -0.853585D+01 -0.298944D+01 -0.115203D+02 -0.194669D+02
      2   0.492449D+01  0.119773D+01 -0.142108D+01  0.524128D+01 -0.228718D+00
      3   0.288544D+01  0.733812D+01  0.441051D+01  0.627905D+01  0.196956D+02
      4   0.532362D+01  0.403412D+01  0.439605D+01  0.444457D+01  0.479348D+01
      5   0.562783D+01  0.822543D+01  0.985436D+01  0.643152D+01  0.142423D+02
      6   0.906234D+01  0.102735D+02  0.642870D+01  0.128404D+02  0.173377D+02
               136           137           138           139           140 
      1   0.442682D+01  0.464307D-01  0.235323D+01  0.118286D+01 -0.234634D+01
      2  -0.541472D+01  0.398973D+00  0.345884D+01  0.784937D+00  0.582390D+00
      3   0.987893D+00 -0.445404D+00 -0.581207D+01 -0.196779D+01  0.176395D+01
      4  -0.444789D+01  0.326096D+01  0.245654D+01  0.263172D+01 -0.169632D+01
      5  -0.940442D+01  0.137302D+01  0.896244D+01  0.253298D+01 -0.230652D+01
      6   0.842127D+00 -0.216685D+01 -0.119193D+01 -0.186710D+01  0.246494D+01
               141           142           143           144           145 
      1  -0.461662D+01  0.327732D+01 -0.375033D+01 -0.144433D+02 -0.264247D+01
      2  -0.740148D+00  0.393311D+01  0.730223D+00 -0.684598D+01 -0.236043D+01
      3   0.535677D+01 -0.721044D+01  0.302011D+01  0.212892D+02  0.500290D+01
      4  -0.225278D+01  0.463615D+01 -0.486504D+01 -0.601876D+01  0.460012D+01
      5  -0.244541D+01  0.114036D+02 -0.293010D+01 -0.151432D+02  0.101007D+02
      6   0.372082D+01 -0.335579D+01  0.590597D+01  0.677599D+01  0.592486D+01
               146           147           148           149           150 
      1  -0.354140D+01 -0.542285D+01 -0.360850D+01 -0.797750D+01 -0.123850D+02
      2   0.104096D+01 -0.209173D+01 -0.122893D+01  0.206365D+01 -0.150527D+01
      3   0.250045D+01  0.751457D+01  0.483743D+01  0.591384D+01  0.138902D+02
      4   0.442778D+01  0.403295D+01  0.320133D+01  0.367644D+01  0.332174D+01
      5   0.571371D+01  0.117672D+02  0.677074D+01  0.545617D+01  0.950355D+01
      6   0.538535D+01  0.677737D+01  0.449506D+01  0.863595D+01  0.106875D+02
               151           152           153           154           155 
      1  -0.722627D+01 -0.125545D+02 -0.264680D+02  0.654730D+00 -0.550261D+00
      2  -0.266263D+01  0.159927D+01 -0.705969D+01 -0.850921D+01  0.963912D+00
      3   0.988890D+01  0.109553D+02  0.335277D+02  0.785448D+01 -0.413651D+00
      4   0.401309D+01  0.399852D+01  0.387968D+01 -0.366219D+01  0.328107D+01
      5   0.113910D+02  0.694147D+01  0.175838D+02 -0.157264D+02  0.194047D+01
      6   0.694193D+01  0.134043D+02  0.190375D+02  0.601595D+00 -0.288277D+01
               156           157           158           159           160 
      1   0.500766D+01  0.378753D+01 -0.252615D+01 -0.621076D+01  0.334414D+01
      2   0.870564D+01 -0.212720D+00 -0.122028D+00 -0.236689D+01  0.947693D+01
      3  -0.137133D+02 -0.357481D+01  0.264818D+01  0.857765D+01 -0.128211D+02
      4   0.295322D+01  0.122962D+01 -0.127268D+01 -0.286927D+01  0.487544D+01
      5   0.168966D+02  0.203340D+01 -0.289079D+01 -0.360701D+01  0.173765D+02
      6  -0.130192D+00 -0.184225D+01  0.234445D+01  0.386490D+01 -0.302828D+01
               161           162           163           164           165 
      1  -0.325867D+01 -0.210892D+02  0.148147D+02 -0.557397D+00 -0.711475D+01
      2  -0.954872D+00 -0.154381D+02 -0.110797D+02  0.617377D+00  0.609591D+01
      3   0.421354D+01  0.365272D+02 -0.373496D+01 -0.599801D-01  0.101884D+01
      4  -0.451045D+01 -0.595450D+01  0.343638D+01  0.746416D+01 -0.606190D+01
      5  -0.391191D+01 -0.251179D+02 -0.153136D+02 -0.543335D+01  0.183017D+02
      6   0.638078D+01  0.579494D+01 -0.345323D+01 -0.256612D+01  0.393208D+01
               166           167           168           169           170 
      1  -0.887050D+01 -0.152572D+01  0.103742D+01 -0.164937D+02  0.142079D+01
      2   0.488514D+01  0.214896D+01 -0.683307D+00  0.128897D+02  0.136215D+00
      3   0.398535D+01 -0.623233D+00 -0.354116D+00  0.360401D+01 -0.155700D+01
      4   0.523569D+01  0.581136D+01 -0.468890D+01 -0.850973D+01 -0.100274D+02
      5  -0.135027D+01 -0.508994D+01  0.202144D+00  0.215799D+02  0.109884D+02
      6  -0.198591D+01 -0.191204D+01  0.522581D+01  0.656277D+01  0.803152D+01
               171           172           173           174           175 
      1  -0.482719D+01  0.813274D+01  0.620422D+01  0.354832D+01  0.100340D+02
      2  -0.111100D+02  0.253531D+00 -0.124051D+01 -0.117769D+01  0.428220D+01
      3   0.159372D+02 -0.838627D+01 -0.496371D+01 -0.237063D+01 -0.143162D+02
      4   0.108756D+02  0.934327D+01  0.130426D+02  0.524136D+00  0.248216D+02
      5  -0.426715D+02  0.429876D+01 -0.917409D-01  0.398838D+01  0.167191D+01
      6  -0.142518D+02  0.150994D+01  0.749583D-04  0.651241D+00  0.124519D+01
               176           177           178           179           180 
      1  -0.168981D+02 -0.144290D+01  0.178808D+02 -0.360825D+01 -0.185561D+00
      2   0.377902D+02  0.402814D+01 -0.453782D+01  0.827239D+01  0.155041D+01
      3  -0.208922D+02 -0.258524D+01 -0.133430D+02 -0.466414D+01 -0.136485D+01
      4   0.527807D+02  0.603267D+01  0.765428D+01  0.161633D+02  0.794516D+01
      5   0.540866D+01  0.621300D+01  0.889159D+01  0.766957D+01  0.224542D+01
      6   0.287271D+01  0.587318D+01  0.314770D+01  0.716807D+01  0.280565D+01
               181           182           183           184           185 
      1  -0.131576D+02  0.484772D+01  0.128749D+02  0.104376D+02 -0.730490D+01
      2   0.242833D+01 -0.212750D+01 -0.212725D+01 -0.509925D+01  0.325872D+01
      3   0.107293D+02 -0.272022D+01 -0.107477D+02 -0.533839D+01  0.404619D+01
      4   0.575299D+01 -0.240959D+01  0.163750D+01  0.115225D+01 -0.474684D+01
      5   0.624013D+01  0.147039D+01 -0.566352D+01  0.129053D+01  0.320122D+01
      6  -0.386837D+00 -0.533796D+00  0.348214D+00 -0.136862D+01 -0.336696D-02
               186           187           188           189           190 
      1   0.230043D+01  0.242923D+02  0.338330D+01 -0.282502D+02  0.122927D+02
      2  -0.103436D+01 -0.919413D+01 -0.203555D+01 -0.720737D+01 -0.645297D+01
      3  -0.126608D+01 -0.150981D+02 -0.134775D+01  0.354575D+02 -0.583977D+01
      4   0.349075D+01  0.251905D+01  0.770395D+01  0.353970D-01 -0.110622D+02
      5  -0.785868D+00 -0.164514D+01  0.395989D+00  0.462106D+02 -0.148999D+02
      6   0.705973D+01  0.170524D+00  0.406984D+01 -0.120034D+01  0.360655D+01
               191           192           193           194           195 
      1  -0.562831D+01 -0.110180D+02 -0.806871D+00  0.133914D+01 -0.239522D+01
      2   0.964403D+00  0.814661D+01 -0.112511D+01  0.100535D+00  0.249283D+01
      3   0.466390D+01  0.287137D+01  0.193198D+01 -0.143968D+01 -0.976029D-01
      4   0.114589D+02  0.587904D+01  0.705206D+01 -0.415094D+01 -0.495675D+01
      5   0.357334D+01  0.201574D+02 -0.712616D+00 -0.494012D+01 -0.170602D+01
      6  -0.170241D+01 -0.666819D+01 -0.154172D+01  0.153747D+01  0.611830D+01
               196           197           198           199           200 
      1  -0.202147D+02 -0.127744D+01  0.776128D+01  0.311874D+02 -0.188358D+02
      2   0.130079D+02  0.344867D+01 -0.140849D+02 -0.762354D+01 -0.265614D+00
      3   0.720676D+01 -0.217123D+01  0.632367D+01 -0.235639D+02  0.191014D+02
      4   0.118970D+02 -0.167903D+02 -0.180483D+02 -0.377975D+02  0.361139D+02
      5   0.249313D+02 -0.140739D+02 -0.540641D+02  0.150833D+02 -0.103177D+02
      6  -0.873486D+01  0.908262D+01  0.202932D+02 -0.748153D+01  0.675660D+01
               201           202           203           204           205 
      1   0.101639D+02 -0.193668D+02  0.924322D+01 -0.369443D+01  0.196024D+02
      2  -0.253974D+01  0.445764D-01  0.119830D+02 -0.326330D+01 -0.612272D+01
      3  -0.762420D+01  0.193222D+02 -0.212262D+02  0.695772D+01 -0.134797D+02
      4  -0.129374D+02  0.360590D+02 -0.444606D+02  0.175236D+02 -0.236927D+02
      5   0.157928D+02 -0.112275D+02  0.155267D+02 -0.125857D+02  0.201700D+02
      6  -0.780225D+01  0.749262D+01 -0.109681D+02  0.908967D+01 -0.976357D+01
               206           207           208           209           210 
      1  -0.588369D+01  0.888620D+01 -0.548089D+02 -0.238052D+02 -0.122495D+01
      2  -0.472315D+01 -0.395555D+01  0.318250D+02  0.211874D+02  0.101608D+01
      3   0.106068D+02 -0.493065D+01  0.229839D+02  0.261786D+01  0.208874D+00
      4   0.304063D+02 -0.192106D+02  0.533293D+01 -0.111425D+02 -0.166463D+01
      5  -0.162719D+02  0.159622D+02 -0.171572D+01 -0.243973D+01 -0.203170D+01
      6   0.114305D+02 -0.981101D+01 -0.154812D+01 -0.528722D+00  0.292303D+01
               211           212           213           214           215 
      1  -0.194342D+02 -0.182359D+02 -0.110592D+01 -0.198588D+01  0.626849D-01
      2   0.154528D+02  0.177314D+02  0.569175D-02  0.185666D+01 -0.371199D+00
      3   0.398145D+01  0.504506D+00  0.110023D+01  0.129224D+00  0.308514D+00
      4   0.575632D+00 -0.676527D+01  0.166837D+01 -0.412026D+00  0.301569D+01
      5  -0.126088D+01  0.103081D+01 -0.262888D+01  0.307304D+01 -0.407477D+01
      6   0.864168D+00 -0.529651D+00  0.355560D+01  0.100553D+01  0.423117D+01
               216           217           218           219           220 
      1  -0.308101D+01  0.402536D+02  0.150300D+01 -0.216623D+02 -0.435700D+01
      2   0.128352D+01 -0.215821D+02  0.142816D+00  0.103161D+02  0.366982D+01
      3   0.179749D+01 -0.186715D+02 -0.164581D+01  0.113463D+02  0.687183D+00
      4  -0.422083D+01  0.347579D+01  0.869797D+01 -0.543966D+01  0.123858D+02
      5  -0.406281D+01 -0.210939D+02 -0.472672D+01  0.262463D+02 -0.366350D+01
      6   0.107283D+01 -0.288028D+01 -0.356733D+00  0.280853D+01 -0.119650D+01
               221           222           223           224           225 
      1   0.717662D+01 -0.369799D+01 -0.570201D+02 -0.946225D+01  0.332168D+02
      2  -0.229745D+01  0.162443D+01  0.296270D+02  0.393533D+01 -0.207746D+02
      3  -0.487917D+01  0.207355D+01  0.273930D+02  0.552691D+01 -0.124422D+02
      4   0.858974D+01 -0.474405D+01 -0.128055D+02 -0.152219D+02  0.748053D+01
      5  -0.414280D+01  0.200243D+01  0.415275D+02  0.714983D+01 -0.605266D+02
      6   0.337927D+00  0.406065D+01  0.388151D+01  0.425641D+01 -0.729924D+01
               226           227           228           229           230 
      1   0.374382D+01  0.869235D+01  0.452479D+01  0.260416D+02  0.562973D+01
      2  -0.378901D+00 -0.341853D+01 -0.213110D+01 -0.928522D+01  0.130864D+02
      3  -0.336492D+01 -0.527383D+01 -0.239369D+01 -0.167564D+02 -0.187161D+02
      4   0.776041D+01  0.965558D+01  0.194239D+01  0.333063D+02  0.802857D+02
      5   0.438886D+01  0.222190D+01  0.629972D+01  0.108928D+02  0.270832D+02
      6   0.226358D+01  0.838204D+00  0.261066D+00  0.595481D+01  0.168837D+02
               231           232           233           234           235 
      1  -0.417906D+00  0.119600D+02 -0.160382D+01  0.657126D+01  0.801400D+02
      2   0.161967D+01 -0.649702D+01  0.283865D+01 -0.476176D+01 -0.456347D+02
      3  -0.120177D+01 -0.546297D+01 -0.123483D+01 -0.180950D+01 -0.345054D+02
      4   0.258458D+02  0.858906D+01  0.274964D+02  0.164463D+02 -0.216836D+02
      5   0.213516D+02  0.169759D+02  0.171157D+02  0.142042D+02  0.370576D+02
      6   0.111347D+02  0.354221D+01  0.108301D+02  0.710327D+01 -0.309533D+01
               236           237           238           239           240 
      1  -0.218893D+02  0.282062D+02 -0.567063D+02  0.178470D+02 -0.180412D+02
      2   0.129077D+02 -0.187726D+02  0.317759D+02 -0.865881D+01  0.130982D+02
      3   0.898156D+01 -0.943366D+01  0.249305D+02 -0.918816D+01  0.494299D+01
      4   0.184490D+02 -0.105371D+02  0.259320D+02 -0.198755D+02  0.162773D+02
      5  -0.123429D+02  0.301890D+02 -0.263959D+02  0.170533D+02 -0.213758D+02
      6   0.211484D+01 -0.409187D+00  0.458931D+01 -0.366384D+01  0.422278D+01
               241           242           243           244           245 
      1   0.479473D+02 -0.111184D+02  0.293160D+02  0.291201D+01  0.431682D+00
      2  -0.308862D+02  0.867496D+01 -0.228416D+02 -0.348546D+01  0.124355D+00
      3  -0.170612D+02  0.244348D+01 -0.647447D+01  0.573455D+00 -0.556037D+00
      4  -0.129301D+02  0.189501D+02 -0.103704D+02  0.489893D+01  0.748601D+01
      5   0.438162D+02 -0.114891D+02  0.318782D+02  0.126621D+02  0.390262D+01
      6  -0.187466D+01  0.500267D+01 -0.300334D+01  0.565054D+01  0.146432D+01
               246           247           248           249           250 
      1   0.766738D+01 -0.545089D+00 -0.960992D+00 -0.128586D+01  0.112393D+02
      2  -0.476177D+01  0.138833D+01  0.323569D+01  0.138986D+01 -0.781544D+01
      3  -0.290561D+01 -0.843244D+00 -0.227470D+01 -0.103999D+00 -0.342384D+01
      4   0.433953D+01  0.110870D+02  0.112098D+02  0.800443D+01  0.651929D+01
      5   0.109256D+02  0.498121D+01  0.833789D+01  0.119289D+02  0.155586D+02
      6   0.317201D+01  0.290057D+01  0.593677D+01  0.926060D+01  0.490833D+01
               251           252           253           254           255 
      1  -0.368858D+01 -0.442915D+01 -0.409446D+02 -0.460063D+02  0.760123D+01
      2   0.195022D+01 -0.677293D+01  0.225084D+01  0.324527D+02  0.172979D+01
      3   0.173836D+01  0.112021D+02  0.386938D+02  0.135536D+02 -0.933102D+01
      4   0.128006D+02  0.125401D+02 -0.577439D+02 -0.948745D+01  0.595414D+01
      5   0.121202D+02  0.348505D+02  0.125129D+02  0.957674D+01  0.620837D+01
      6   0.865432D+01  0.156252D+02  0.579165D+01  0.355353D+00  0.335971D+01
               256           257           258           259           260 
      1  -0.357540D+02  0.134245D+02  0.123470D+02 -0.279515D+01  0.138558D+02
      2   0.283990D+02 -0.176045D+02 -0.459182D+01  0.297728D+01 -0.116042D+02
      3   0.735498D+01  0.417998D+01 -0.775523D+01 -0.182127D+00 -0.225166D+01
      4   0.408261D+01  0.484015D+01 -0.835927D+01 -0.376650D+01 -0.143086D+02
      5   0.266229D+01 -0.133786D+02  0.143050D+02  0.136385D+02  0.138537D+02
      6  -0.583324D+01 -0.869514D+01  0.125540D+02  0.100283D+02  0.147547D+02
               261           262           263           264           265 
      1   0.921983D+01  0.335559D+02 -0.233438D+02  0.608907D+01 -0.276978D+02
      2   0.131885D+02 -0.915901D+01  0.405775D+01 -0.227322D+01  0.220662D+01
      3  -0.224083D+02 -0.243969D+02  0.192860D+02 -0.381585D+01  0.254912D+02
      4   0.188952D+02 -0.356000D+02  0.338320D+02 -0.735019D+01  0.462860D+02
      5   0.149891D+02  0.123832D+02 -0.858149D+01  0.946184D+01 -0.121193D+02
      6   0.453653D+01 -0.451997D+01  0.437621D+01 -0.250687D+01  0.561474D+01
               266           267           268           269           270 
      1   0.206506D+02 -0.446269D+01 -0.737048D+01  0.663951D+01  0.122113D+01
      2   0.819767D+01  0.724610D+00 -0.477887D+00  0.150153D+01 -0.360078D+00
      3  -0.288482D+02  0.373807D+01  0.784836D+01 -0.814104D+01 -0.861049D+00
      4  -0.593566D+02  0.116638D+02  0.102371D+02 -0.112666D+02 -0.424402D+01
      5   0.137023D+02 -0.129207D+02  0.439225D+01 -0.394254D+01  0.356348D+01
      6  -0.854065D+01  0.557755D+01 -0.211835D+01  0.318751D+01 -0.128228D+01
               271           272           273           274           275 
      1  -0.118613D+02  0.264810D+02 -0.192404D+01  0.178844D+02 -0.362927D+02
      2   0.139515D+02 -0.297419D+02 -0.420038D-01 -0.159841D+02  0.508726D+02
      3  -0.209023D+01  0.326089D+01  0.196605D+01 -0.190026D+01 -0.145798D+02
      4   0.186316D+01 -0.623820D+01  0.126482D+01  0.490041D+01  0.220464D+02
      5   0.272310D+01 -0.244056D+01 -0.343387D+01 -0.399885D+01  0.383454D+01
      6  -0.101991D+01  0.424537D+01 -0.513808D+01  0.121771D+01 -0.629651D+01
               276           277           278           279           280 
      1   0.393889D+00  0.384991D+01 -0.596411D+01 -0.611597D+01  0.122932D+01
      2   0.413636D+00 -0.256119D+01  0.912604D+01  0.390149D+01 -0.205874D+01
      3  -0.807525D+00 -0.128873D+01 -0.316193D+01  0.221447D+01  0.829422D+00
      4  -0.415750D+00  0.175768D+01  0.722507D+01 -0.615889D+00  0.275159D+01
      5   0.302574D+01 -0.126169D+01  0.179621D+01  0.525837D+00 -0.349610D+01
      6   0.619380D+01 -0.267660D+01  0.473037D+01  0.885839D+00 -0.159391D+01
               281           282           283           284           285 
      1   0.484034D+01 -0.749073D+01 -0.122386D+01 -0.283037D+01 -0.311008D+01
      2  -0.447901D+01  0.805388D+00 -0.988440D+00 -0.271329D+00 -0.324350D+01
      3  -0.361330D+00  0.668534D+01  0.221230D+01  0.310170D+01  0.635358D+01
      4   0.229296D+00 -0.215328D+01 -0.169544D+01 -0.612616D+01 -0.128112D+01
      5  -0.382115D+00 -0.952327D+00  0.133475D+01 -0.292963D+00 -0.749441D+01
      6   0.156414D+01 -0.295411D+01  0.118718D+01  0.178237D+01 -0.106568D+01
               286           287           288           289           290 
      1  -0.940611D+01  0.213251D+01 -0.183345D+02  0.768522D+02  0.245299D+02
      2   0.356858D+01 -0.591862D+01 -0.144181D+02 -0.239053D+02  0.104684D+00
      3   0.583754D+01  0.378611D+01  0.327527D+02 -0.529470D+02 -0.246346D+02
      4  -0.679416D+01 -0.954014D+01 -0.243928D+01  0.677598D+02  0.411487D+02
      5   0.613231D+01  0.892658D+00 -0.329147D+02 -0.215622D+02 -0.103906D+02
      6   0.687362D+00  0.524220D+01 -0.197275D+02 -0.865646D+01 -0.713081D+01
               291           292           293           294           295 
      1  -0.542528D+01  0.175557D+02  0.848913D+01 -0.180634D+01  0.953066D+00
      2   0.240540D+01  0.196524D+00  0.682430D+01  0.198541D+00  0.971655D+00
      3   0.301988D+01 -0.177522D+02 -0.153134D+02  0.160779D+01 -0.192472D+01
      4  -0.937751D+01  0.310550D+02  0.248845D+02 -0.363035D+01 -0.245884D+00
      5   0.140842D+02 -0.672327D+01 -0.359669D+01  0.375075D+01  0.112536D+02
      6   0.785666D+01 -0.434874D+01 -0.408880D+01  0.310716D+01  0.559673D+01
               296           297 
      1  -0.110764D+01  0.503003D+01
      2   0.186747D+01 -0.406325D+01
      3  -0.759824D+00 -0.966783D+00
      4   0.130325D+01  0.551220D+01
      5   0.434522D+01 -0.473409D+01
      6   0.312964D+01 -0.239918D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.175222D+03      0.259652D+02      0.288902D+02
   aniso      0.829765D+02      0.122958D+02      0.136810D+02
   xx         0.228329D+03      0.338348D+02      0.376463D+02
   yx         0.885357D+01      0.131196D+01      0.145976D+01
   yy         0.142451D+03      0.211091D+02      0.234870D+02
   zx        -0.412191D+01     -0.610804D+00     -0.679611D+00
   zy         0.676502D+01      0.100247D+01      0.111540D+01
   zz         0.154887D+03      0.229518D+02      0.255374D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.175222D+03      0.259652D+02      0.288902D+02
   aniso      0.829765D+02      0.122958D+02      0.136810D+02
   xx         0.195857D+03      0.290230D+02      0.322925D+02
   yx         0.142655D+02      0.211393D+01      0.235207D+01
   yy         0.142082D+03      0.210544D+02      0.234261D+02
   zx        -0.347157D+02     -0.514433D+01     -0.572384D+01
   zy        -0.679064D+01     -0.100627D+01     -0.111963D+01
   zz         0.187728D+03      0.278184D+02      0.309521D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F15-11\Freq\RLC-PBEPBE\Gen\C13H18O2\PIERPA\27-Sep-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,-0.646549,-0.738131,-0.801564\C,-1.432592
 ,-0.511522,0.329783\C,0.68001,-0.338401,-0.847846\C,1.266867,0.302071,
 0.243935\C,0.492409,0.520436,1.377965\C,-0.838534,0.122026,1.41791\C,-
 2.882387,-0.913637,0.347539\C,-3.797679,0.013396,-0.476375\C,-3.787727
 ,1.442814,0.061806\C,-5.218015,-0.547768,-0.52076\C,2.71306,0.76711,0.
 19183\C,3.602939,-0.42927,-0.086386\O,3.981236,-0.787282,-1.17171\O,3.
 915201,-1.096316,1.047826\H,-1.080077,-1.240686,-1.658424\H,1.270566,-
 0.537518,-1.733203\H,0.933056,1.005917,2.240389\H,-1.424007,0.306057,2
 .310676\H,-3.244624,-0.936082,1.379648\H,-2.980608,-1.931165,-0.04143\
 H,-3.406098,0.034214,-1.499523\H,-4.163541,1.470389,1.088857\H,-4.4255
 56,2.090476,-0.542757\H,-2.782177,1.864314,0.062741\H,-5.646809,-0.595
 436,0.484188\H,-5.235024,-1.556669,-0.938514\H,-5.870883,0.08041,-1.12
 9959\H,2.976513,1.139253,1.182625\C,2.933498,1.865447,-0.850054\H,4.43
 6417,-1.871707,0.786177\H,2.278614,2.710285,-0.637065\H,2.713092,1.497
 5,-1.850637\H,3.967865,2.211791,-0.839432\\Version=ES64L-G16RevA.03\St
 ate=1-A\HF=-657.0243758\RMSD=9.069e-09\RMSF=3.633e-06\ZeroPoint=0.2841
 143\Thermal=0.299817\Dipole=-0.3951974,0.1164792,0.4672663\DipoleDeriv
 =-0.1300535,0.035352,0.0231723,0.0277115,-0.066299,0.0710308,0.084727,
 0.0942769,0.0467666,0.3315175,0.0470541,0.0211744,0.1134197,-0.067765,
 0.0243013,0.0242605,0.0187992,-0.0821011,-0.1034301,-0.0048859,-0.0330
 65,-0.007702,-0.0932587,0.0401624,-0.0660876,0.0327982,-0.0018166,0.27
 00829,0.0609446,-0.0697346,0.1762475,-0.1152362,-0.0209535,-0.0088253,
 0.005423,-0.072768,-0.0736012,0.035675,0.0491157,0.0426434,-0.0667473,
 0.0731865,0.0016126,0.0729834,0.0581552,-0.1512521,-0.0050104,-0.07664
 08,-0.061504,-0.0995636,0.0487704,-0.1036786,0.0264885,0.0389577,0.000
 0628,-0.0039896,-0.0546494,0.0945721,0.1161084,0.018528,-0.1547335,-0.
 0152173,0.1422322,0.1505204,0.0011282,0.0256971,-0.125619,0.1192031,0.
 016464,0.1132001,0.0330648,0.0878038,0.0211728,-0.036928,-0.0300422,0.
 0034588,-0.032567,-0.0440273,-0.0567937,-0.0183855,0.1177777,-0.013145
 3,-0.033256,-0.0118006,0.0471366,0.081256,0.0038914,-0.0692321,-0.0131
 199,0.1305777,-0.0940462,0.1396574,0.0550179,0.0771689,0.0579967,-0.01
 68536,0.1537497,-0.0222128,0.0898916,0.8599275,-0.4916786,-0.0403988,-
 0.8751121,0.8255846,-0.1968823,-0.0757714,-0.2606198,1.5274087,-0.6421
 747,0.1686273,0.2382059,0.360192,-0.5503473,-0.1836029,0.2193736,0.037
 0335,-0.9635766,-0.5414177,0.1703208,-0.2574121,0.3049147,-0.5924308,0
 .4621304,-0.2753427,0.3488926,-0.8973666,0.0295007,-0.0572005,-0.05533
 38,-0.0652477,0.0638509,-0.0702175,-0.0641645,-0.07002,-0.0202685,0.04
 48684,0.0019253,0.0671452,0.0075121,0.1059088,-0.028666,0.0769843,-0.0
 244878,0.006568,0.0202236,-0.0521412,-0.0677016,-0.0554869,0.0688422,-
 0.0729975,-0.0576126,-0.068517,-0.0172373,-0.0023095,-0.0021623,0.0989
 129,-0.0094155,0.0991632,-0.0338725,0.0965172,-0.0359225,-0.0246091,-0
 .0342678,-0.0144783,0.0399241,0.0072957,0.0498093,-0.0265831,0.0805381
 ,0.0342694,-0.1199124,-0.0367338,-0.0071648,0.0015049,-0.0509701,-0.13
 585,-0.037249,-0.01446,-0.0776593,0.029513,-0.0237491,-0.0018323,0.076
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 KNOWING HOW CONTENTED, FREE, AND JOYFUL IS LIFE IN
 THE REALMS OF SCIENCE, ONE FERVENTLY WISHES THAT
 MANY WOULD ENTER HER PORTALS.
   --  DMITRI IVANOVICH MENDELEEV
 "FIRST PRINCIPLES OF CHEMISTRY", LONGMANS, GREEN,
 AND CO.  LONDON, 1891
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 Normal termination of Gaussian 16 at Mon Sep 27 22:24:27 2021.
